ZINC - A free database for virtual screening

Vendor Information Name Email Phone Fax	Catalog Information Source- entries, Version/ Date	ZINC Information Loaded, Filtered, Sole- source, Depleted	Diversity Information Cluster represent- atives at a given Tanimoto cutoff
ACB Blocks info@acbblocks.com p.+7 (495) 761-4365 f.+7 (495) 646-0434	2982 2006.04	download 4267 113 1510 NYA	90%:1797 80%:912 70%:542 60%:326
Acros Organics info at acros.com p.N/A f.+32 14 59 34 34	17449 2006.4	12750 4579 561 NYA	90%:6780 80%:3439 70%:1492 60%:694
Adesis info at adesisinc.com p.+1 302 323 4880 f.+1 302 323 4879	300 2007-02-10	234 34 95 NYA	90%:191 80%:108 70%:55 60%:17
Alfa-Aesar info at alfa.com p.+1 978 521 6300 f.+1 978 521 6350	25102 2005.6	16360 6634 1736 NYA	90%:2714 80%:1291 70%:551 60%:264
AmpC ligands email p.phone f.fax	21 2008.7	21 0 0 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
AmpC non-binders email p.phone f.fax	84 2008.7	119 0 17 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
AnalytiCon Discovery sales at ac-discovery.com p.+49 (0) 331 2300-300 f.+49 (0) 331 2300-333	19080 080301	13463 58 11595 NYA	90%:3086 80%:729 70%:209 60%:79
Apollo Scientific sales@apolloscientific.co.uk p.+44 161 406 0505 f.+44 161 406 0506	25102 2005.6	download 21530 4963 1209 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Aronis rakishev at aronis.ru p.+7 926 5780336 f.+7 495 4265336	24141 2008.4	29054 804 153 NYA	90%:10724 80%:3055 70%:1080 60%:424
ARVI email p.phone f.fax	53000 2008.5	5541 1000 3124 NYA	90%:1147 80%:524 70%:294 60%:166
ASDI email p.phone f.fax	10000 2008.1	10365 1000 385 NYA	90%:6152 80%:3326 70%:1549 60%:685
Asinex sales at asinex.com p.+7 095 780 3411 f.+7 095 780 3419	372187 2006.3	369231 125100 67224 NYA	90%:85842 80%:32727 70%:12173 60%:4351
AstaTech email p.phone f.fax	2300 2008.5	2427 100 902 NYA	90%:1373 80%:892 70%:546 60%:296
Aurora Feinchemie office at aurora-feinchemie.com p.+43 316 58 67 38 f.+43 316 58 47 44	51082 2006.4	77245 24808 8193 NYA	90%:1425 80%:1150 70%:828 60%:493
Bachem sales at bachem.com p.+1 800 634 3183 f.+1 610 239 0800	6470 2005.6	3096 3196 47 NYA	90%:1034 80%:390 70%:181 60%:109
BindingDB.org email p.phone f.fax	22500 2008.6	19983 0 202 NYA	90%:6880 80%:3467 70%:1992 60%:1122
BioSynth welcome@biosynth.ch p.+41 71 858 20 20 f.+41 71 858 20 30	2016 2007	download 2132 467 1048 NYA	90%:778 80%:440 70%:264 60%:168
Calbiochem email p.phone f.fax	10000 2008.1	761 1000 378 NYA	90%:456 80%:393 70%:344 60%:281
CCP W191G binders email p.phone f.fax	43 2008.7	17 0 0 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
CCP W191G non-binders email p.phone f.fax	17 2008.7	8 0 0 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
ChemBridge sales at chembridge.com p.858 451 7400 f.858 451 7401	476161 2006.6	430751 7737 54157 NYA	90%:130509 80%:41733 70%:14447 60%:5119
ChemDiv chemdiv at chemdiv.com p.858-794-4860 f.858-794-4931	349977 2006.5	445404 137686 226899 NYA	90%:2772 80%:2071 70%:1417 60%:882
Chemical Block orders at chemical-block.com p.+7 095 1356343 f.+7 095 1372966	123290 2006.3	104210 40980 4831 NYA	90%:1757 80%:1429 70%:1006 60%:632
Chemik info at chemik.com p.phone f.fax	1000 2008.5	97 100 80 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
CiVentiChem sales at cvchem.com p.+1 (919) 678-0702 f.+1 (919) 678-0706	1236 2007	1002 88 564 NYA	90%:590 80%:412 70%:319 60%:226
Combi-Blocks sales at combi-blocks.com p.+1 877 525 6257 f.+1 858 635 8991	1747 2005.11	709 1034 166 NYA	90%:505 80%:287 70%:171 60%:83
DrugBank-experimental info at drugbank.ca p.phone f.fax	3205 2008.5	4649 621 317 NYA	90%:1673 80%:1281 70%:956 60%:687
DrugBank-nutriceuticals info at drugbank.ca p.phone f.fax	61 2008.5	78 3 4 NYA	90%:45 80%:35 70%:31 60%:25
DrugBank-small molecules info at drugbank.ca p.phone f.fax	4562 2008.5	1490 841 192 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Enamine enamine at enamine.net p.+380 44 537 3218 f.+380 44 537 3253	1021826 2006.6	1044816 210704 260564 NYA	90%:331628 80%:110069 70%:27044 60%:6230
FDA-approved drugs (via DSSTOX) no email p.N/A f.N/A	1217 2005-03-01	2424 28 322 NYA	90%:955 80%:773 70%:628 60%:469
Focus Synthesis info at focussynthesis.com p.phone f.fax	1000 2008.5	388 100 385 NYA	90%:306 80%:271 70%:231 60%:189
Frinton sales at frinton.com p.Tel f.Fax	1130 2005.10	1097 190 17 NYA	90%:787 80%:572 70%:365 60%:180
Frontier sales at frontiersci.com p.+1 435 853 1901 f.+1 435 753 6731	791 2005.10	361 433 117 NYA	90%:288 80%:200 70%:120 60%:72
Human Metabolome Database info at hmdb.ca p.phone f.fax	5000 2008.5	2550 100 1392 NYA	90%:925 80%:541 70%:323 60%:206
IBScreen screen at ibscreen.chg.ru p.+7 (095) 788 0651 f.+7 (095) 788 0652	428025 2006.3	536673 20010 146927 NYA	90%:100839 80%:40859 70%:16593 60%:5900
Individual Suppliers email p.phone f.fax	100 current	3 0 0 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Indofine chemical at indofinechemical.com p.+1 908 359 6778 f.+1 908 359 1179	1332 2005.11	1499 18 226 NYA	90%:403 80%:188 70%:105 60%:75
Infarmatik sales at infarmatic.com p.+36 1 399 3311 f.+36 1 399 3448	907 2008.5	1001 20 280 NYA	90%:613 80%:396 70%:250 60%:159
KeyOrganics enquiries at keyorganics.ltd.uk p.+44 1840 212137 f.+44 1840 213712	49522 2004-08-01	59389 459 2730 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
L99A binders email p.phone f.fax	55 2008.7	53 0 12 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
L99A non-binders email p.phone f.fax	65 2008.7	61 0 5 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
L99A/M102Q binders email p.phone f.fax	76 2008.7	73 0 12 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
L99A/M102Q non-binders email p.phone f.fax	20 2008.7	17 0 1 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Lab molecules email p.phone f.fax	100 current	0 0 0 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Life Chemicals sales at lifechemicals.com p.+1 905 634 5212 f.+1 905 634 4719	200000 2006.5	549442 0 222958 NYA	90%:81217 80%:27036 70%:9840 60%:3426
LOPAC1280 sales at sial.com p.phone f.fax	1280 2005.10	1540 26 329 NYA	90%:998 80%:852 70%:706 60%:530
Maybridge orders at maybridge.com p.+44 1840 770467 f.+44 1840 770111	19049 2008.4	70657 3 4252 NYA	90%:41627 80%:23905 70%:10923 60%:3892
MicroSource sales at msdiscovery.com p.+1 (860) 350-8078 f.+1 (860) 354-5300	4000 2004-10	3365 165 290 NYA	90%:1388 80%:1088 70%:811 60%:522
Molecular Diversity Preservation International lin at mpdi.org p.+41 61 683 7734 f.+41 61 302 8918	10653 2005.6	12587 2248 1657 NYA	90%:826 80%:631 70%:417 60%:287
Nanosyn sales at nanosyn.com p.+1 650 853 7030 f.+1 650 853 7031	58587 2004-08-01	57932 14540 4966 NYA	90%:1226 80%:988 70%:735 60%:487
National Cancer Institute dtpinfo at mail.nih.gov p.no phone f.no fax	260070 Nov 2003	283541 0 94477 NYA	90%:1 80%:1 70%:1 60%:1
NCI Plated 2007 dtpinfo at mail.nih.gov p.no phone f.no fax	139735 May 07	136784 0 101922 NYA	90%:5203 80%:2964 70%:1473 60%:730
Oakwood Chemical sales at oakwoodchemical.com p.+1 803 739 8800 f.+1 803 739 6957	16975 2005.6	15616 2147 2747 NYA	90%:2729 80%:1594 70%:809 60%:395
Otava info at otavachemicals.com p.(+380 44) 2522389 f.(+380 44) 2522458	196592 2006.5	299848 80410 157748 NYA	90%:48324 80%:16168 70%:6265 60%:2323
Peakdale sales at peakdale.com p.+1 302 838 0420 f.+1 302 838 0421	8548 2006	7950 1622 1561 NYA	90%:295 80%:217 70%:160 60%:104
PepTech service at peptechcorp.com p.+1 781 273 5400 +1 7 f.6000	1503 2005.6	1540 1 544 NYA	90%:385 80%:167 70%:62 60%:20
Pharmeks sales at pharmeks.com p.+7 (095) 702-9648 f.+7 (095) 702-9648	105602 2006.5	155543 0 42837 NYA	90%:553 80%:497 70%:410 60%:304
Polyphor info at polyphor.com p.+41 61 486 98 98 f.+41 61 486 98 69	1503 2005.6	0 1 0 NYA	90%:0 80%:0 70%:0 60%:0
PubChem email p.phone f.fax	4300000 2006.1	2580343 271411 651993 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Ryan Scientific sales at ryansci.com p.843 884 4911 f.843 884 5568	59696 2006.5	51370 0 285 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Sigma-Aldrich sales at sigma-aldrich.com p.800-325-3010 f.	17931 2006.5	15186 1201 1278 NYA	90%:8606 80%:4438 70%:2077 60%:925
Sinova email p.phone f.fax	2200 2008.6	1902 100 1835 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
Specs info at specs.net p.+1 401 782 2994 f.410 772 3206	200946 2006.8	248330 70581 43833 NYA	90%:1186 80%:836 70%:528 60%:345
spectrum email p.phone f.fax	20000 2008.1	2876 1000 498 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
SynChem sales at synchem.com p.phone f.fax	825 2007	819 13 177 NYA	90%:585 80%:346 70%:231 60%:142
SYNCHEM OHG email p.phone f.fax	2200 2008.6	840 100 637 NYA	90%:684 80%:558 70%:379 60%:263
SynQuest Laboratories info at synquestlabs.com p.+1 (386) 462-0788 f.+1 (386) 462-7097	3516 2007	1922 1509 143 NYA	90%:1018 80%:467 70%:214 60%:108
Synthon-Lab sl at synthon-lab.com p.+7 812 428 4885 f.+7 812 428 4885	20000 2007	71537 0 16670 NYA	90%:N/A 80%:5394 70%:1945 60%:701
Synthonix info at synthonix.com p.phone f.fax	605 2007	200 398 40 NYA	90%:168 80%:103 70%:68 60%:36
TimTec info at timtec.net p.(302) 292-8500 f.(302) 292-8520	93000 2005.11	351024 19202 35694 NYA	90%:4780 80%:2753 70%:1380 60%:651
Tocris customerservice at tocris.co.uk p.+44 117 916 3333 f.+44 117 916 3344	974 2005.10	1099 162 276 NYA	90%:751 80%:673 70%:583 60%:470
Toslab toslab at toslab.com p.+7 343 3754135 f.+7 343 3754135	15301 2005.6	17723 443 9644 NYA	90%:6576 80%:3742 70%:2289 60%:1387
Tyger sales at tygersci.com p.(888) 329-8990 f.(609) 434-0143	2670 2005.10	3101 150 1291 NYA	90%:1600 80%:983 70%:588 60%:342
Vitas-M boerrigter at vitasmlab.com p.+31 (0) 55 50 500 33 f.+31 (0) 55 50 500 34	243000 2005.6	435869 0 132331 NYA	90%:N/A 80%:N/A 70%:N/A 60%:N/A
World Molecules info at worldmolecules.com p.phone f.fax	30000 2008.7	6690 1000 6209 NYA	90%:3816 80%:2810 70%:2096 60%:1506
Zannan business at zannanpharma.com p.+86-21-5442-6233 f.+86-21-5442-6233	1398 2007	1583 75 1241 NYA	90%:496 80%:245 70%:112 60%:60
ZINC natural products info at docking.org p.1.800.AUNATUREL f.1.800.WHATSAFAX	5000 2008.5	89425 100 4210 NYA	90%:20444 80%:9685 70%:4944 60%:2360

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(click to browse ZINC)

Vendor
Information

Name
Email
Phone
Fax

Catalog
Information

Source- entries,
Version/ Date

ZINC
Information

Loaded,
Filtered,
Sole- source,
Depleted

Diversity
Information

Cluster represent-
atives
at a given Tanimoto cutoff

ACB Blocks
info@acbblocks.com
p.+7 (495) 761-4365
f.+7 (495) 646-0434

2982
2006.04

download 4267
113
1510
NYA

90%:1797
80%:912
70%:542
60%:326

Acros Organics
info at acros.com
p.N/A
f.+32 14 59 34 34

17449
2006.4

12750

4579
561
NYA

90%:6780
80%:3439
70%:1492
60%:694

Adesis
info at adesisinc.com
p.+1 302 323 4880
f.+1 302 323 4879

300
2007-02-10

234

34
95
NYA

90%:191
80%:108
70%:55
60%:17

Alfa-Aesar
info at alfa.com
p.+1 978 521 6300
f.+1 978 521 6350

25102
2005.6

16360

6634
1736
NYA

90%:2714
80%:1291
70%:551
60%:264

AmpC ligands
email
p.phone
f.fax

21
2008.7

0
0
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

AmpC non-binders
email
p.phone
f.fax

84
2008.7

119

0
17
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

AnalytiCon Discovery
sales at ac-discovery.com
p.+49 (0) 331 2300-300
f.+49 (0) 331 2300-333

19080
080301

13463

58
11595
NYA

90%:3086
80%:729
70%:209
60%:79

Apollo Scientific
sales@apolloscientific.co.uk
p.+44 161 406 0505
f.+44 161 406 0506

25102
2005.6

download 21530
4963
1209
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Aronis
rakishev at aronis.ru
p.+7 926 5780336
f.+7 495 4265336

24141
2008.4

29054

804
153
NYA

90%:10724
80%:3055
70%:1080
60%:424

ARVI
email
p.phone
f.fax

53000
2008.5

5541

1000
3124
NYA

90%:1147
80%:524
70%:294
60%:166

ASDI
email
p.phone
f.fax

10000
2008.1

10365

1000
385
NYA

90%:6152
80%:3326
70%:1549
60%:685

Asinex
sales at asinex.com
p.+7 095 780 3411
f.+7 095 780 3419

372187
2006.3

369231

125100
67224
NYA

90%:85842
80%:32727
70%:12173
60%:4351

AstaTech
email
p.phone
f.fax

2300
2008.5

2427

100
902
NYA

90%:1373
80%:892
70%:546
60%:296

Aurora Feinchemie
office at aurora-feinchemie.com
p.+43 316 58 67 38
f.+43 316 58 47 44

51082
2006.4

77245

24808
8193
NYA

90%:1425
80%:1150
70%:828
60%:493

Bachem
sales at bachem.com
p.+1 800 634 3183
f.+1 610 239 0800

6470
2005.6

3096

3196
47
NYA

90%:1034
80%:390
70%:181
60%:109

BindingDB.org
email
p.phone
f.fax

22500
2008.6

19983

0
202
NYA

90%:6880
80%:3467
70%:1992
60%:1122

BioSynth
welcome@biosynth.ch
p.+41 71 858 20 20
f.+41 71 858 20 30

2016
2007

download 2132
467
1048
NYA

90%:778
80%:440
70%:264
60%:168

Calbiochem
email
p.phone
f.fax

10000
2008.1

761

1000
378
NYA

90%:456
80%:393
70%:344
60%:281

CCP W191G binders
email
p.phone
f.fax

43
2008.7

0
0
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

CCP W191G non-binders
email
p.phone
f.fax

17
2008.7

0
0
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

ChemBridge
sales at chembridge.com
p.858 451 7400
f.858 451 7401

476161
2006.6

430751

7737
54157
NYA

90%:130509
80%:41733
70%:14447
60%:5119

ChemDiv
chemdiv at chemdiv.com
p.858-794-4860
f.858-794-4931

349977
2006.5

445404

137686
226899
NYA

90%:2772
80%:2071
70%:1417
60%:882

Chemical Block
orders at chemical-block.com
p.+7 095 1356343
f.+7 095 1372966

123290
2006.3

104210

40980
4831
NYA

90%:1757
80%:1429
70%:1006
60%:632

Chemik
info at chemik.com
p.phone
f.fax

1000
2008.5

100
80
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

CiVentiChem
sales at cvchem.com
p.+1 (919) 678-0702
f.+1 (919) 678-0706

1236
2007

1002

88
564
NYA

90%:590
80%:412
70%:319
60%:226

Combi-Blocks
sales at combi-blocks.com
p.+1 877 525 6257
f.+1 858 635 8991

1747
2005.11

709

1034
166
NYA

90%:505
80%:287
70%:171
60%:83

DrugBank-experimental
info at drugbank.ca
p.phone
f.fax

3205
2008.5

4649

621
317
NYA

90%:1673
80%:1281
70%:956
60%:687

DrugBank-nutriceuticals
info at drugbank.ca
p.phone
f.fax

61
2008.5

3
4
NYA

90%:45
80%:35
70%:31
60%:25

DrugBank-small molecules
info at drugbank.ca
p.phone
f.fax

4562
2008.5

1490

841
192
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Enamine
enamine at enamine.net
p.+380 44 537 3218
f.+380 44 537 3253

1021826
2006.6

1044816

210704
260564
NYA

90%:331628
80%:110069
70%:27044
60%:6230

FDA-approved drugs (via DSSTOX)
no email
p.N/A
f.N/A

1217
2005-03-01

2424

28
322
NYA

90%:955
80%:773
70%:628
60%:469

Focus Synthesis
info at focussynthesis.com
p.phone
f.fax

1000
2008.5

388

100
385
NYA

90%:306
80%:271
70%:231
60%:189

Frinton
sales at frinton.com
p.Tel
f.Fax

1130
2005.10

1097

190
17
NYA

90%:787
80%:572
70%:365
60%:180

Frontier
sales at frontiersci.com
p.+1 435 853 1901
f.+1 435 753 6731

791
2005.10

361

433
117
NYA

90%:288
80%:200
70%:120
60%:72

Human Metabolome Database
info at hmdb.ca
p.phone
f.fax

5000
2008.5

2550

100
1392
NYA

90%:925
80%:541
70%:323
60%:206

IBScreen
screen at ibscreen.chg.ru
p.+7 (095) 788 0651
f.+7 (095) 788 0652

428025
2006.3

536673

20010
146927
NYA

90%:100839
80%:40859
70%:16593
60%:5900

Individual Suppliers
email
p.phone
f.fax

100
current

0
0
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Indofine
chemical at indofinechemical.com
p.+1 908 359 6778
f.+1 908 359 1179

1332
2005.11

1499

18
226
NYA

90%:403
80%:188
70%:105
60%:75

Infarmatik
sales at infarmatic.com
p.+36 1 399 3311
f.+36 1 399 3448

907
2008.5

1001

20
280
NYA

90%:613
80%:396
70%:250
60%:159

KeyOrganics
enquiries at keyorganics.ltd.uk
p.+44 1840 212137
f.+44 1840 213712

49522
2004-08-01

59389

459
2730
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

L99A binders
email
p.phone
f.fax

55
2008.7

0
12
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

L99A non-binders
email
p.phone
f.fax

65
2008.7

0
5
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

L99A/M102Q binders
email
p.phone
f.fax

76
2008.7

0
12
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

L99A/M102Q non-binders
email
p.phone
f.fax

20
2008.7

0
1
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Lab molecules
email
p.phone
f.fax

100
current

0
0
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Life Chemicals
sales at lifechemicals.com
p.+1 905 634 5212
f.+1 905 634 4719

200000
2006.5

549442

0
222958
NYA

90%:81217
80%:27036
70%:9840
60%:3426

LOPAC1280
sales at sial.com
p.phone
f.fax

1280
2005.10

1540

26
329
NYA

90%:998
80%:852
70%:706
60%:530

Maybridge
orders at maybridge.com
p.+44 1840 770467
f.+44 1840 770111

19049
2008.4

70657

3
4252
NYA

90%:41627
80%:23905
70%:10923
60%:3892

MicroSource
sales at msdiscovery.com
p.+1 (860) 350-8078
f.+1 (860) 354-5300

4000
2004-10

3365

165
290
NYA

90%:1388
80%:1088
70%:811
60%:522

Molecular Diversity Preservation International
lin at mpdi.org
p.+41 61 683 7734
f.+41 61 302 8918

10653
2005.6

12587

2248
1657
NYA

90%:826
80%:631
70%:417
60%:287

Nanosyn
sales at nanosyn.com
p.+1 650 853 7030
f.+1 650 853 7031

58587
2004-08-01

57932

14540
4966
NYA

90%:1226
80%:988
70%:735
60%:487

National Cancer Institute
dtpinfo at mail.nih.gov
p.no phone
f.no fax

260070
Nov 2003

283541

0
94477
NYA

90%:1
80%:1
70%:1
60%:1

NCI Plated 2007
dtpinfo at mail.nih.gov
p.no phone
f.no fax

139735
May 07

136784

0
101922
NYA

90%:5203
80%:2964
70%:1473
60%:730

Oakwood Chemical
sales at oakwoodchemical.com
p.+1 803 739 8800
f.+1 803 739 6957

16975
2005.6

15616

2147
2747
NYA

90%:2729
80%:1594
70%:809
60%:395

Otava
info at otavachemicals.com
p.(+380 44) 2522389
f.(+380 44) 2522458

196592
2006.5

299848

80410
157748
NYA

90%:48324
80%:16168
70%:6265
60%:2323

Peakdale
sales at peakdale.com
p.+1 302 838 0420
f.+1 302 838 0421

8548
2006

7950

1622
1561
NYA

90%:295
80%:217
70%:160
60%:104

PepTech
service at peptechcorp.com
p.+1 781 273 5400 +1 7
f.6000

1503
2005.6

1540

1
544
NYA

90%:385
80%:167
70%:62
60%:20

Pharmeks
sales at pharmeks.com
p.+7 (095) 702-9648
f.+7 (095) 702-9648

105602
2006.5

155543

0
42837
NYA

90%:553
80%:497
70%:410
60%:304

Polyphor
info at polyphor.com
p.+41 61 486 98 98
f.+41 61 486 98 69

1503
2005.6

1
0
NYA

90%:0
80%:0
70%:0
60%:0

PubChem
email
p.phone
f.fax

4300000
2006.1

2580343

271411
651993
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Ryan Scientific
sales at ryansci.com
p.843 884 4911
f.843 884 5568

59696
2006.5

51370

0
285
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Sigma-Aldrich
sales at sigma-aldrich.com
p.800-325-3010
f.

17931
2006.5

15186

1201
1278
NYA

90%:8606
80%:4438
70%:2077
60%:925

Sinova
email
p.phone
f.fax

2200
2008.6

1902

100
1835
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

Specs
info at specs.net
p.+1 401 782 2994
f.410 772 3206

200946
2006.8

248330

70581
43833
NYA

90%:1186
80%:836
70%:528
60%:345

spectrum
email
p.phone
f.fax

20000
2008.1

2876

1000
498
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

SynChem
sales at synchem.com
p.phone
f.fax

825
2007

819

13
177
NYA

90%:585
80%:346
70%:231
60%:142

SYNCHEM OHG
email
p.phone
f.fax

2200
2008.6

840

100
637
NYA

90%:684
80%:558
70%:379
60%:263

SynQuest Laboratories
info at synquestlabs.com
p.+1 (386) 462-0788
f.+1 (386) 462-7097

3516
2007

1922

1509
143
NYA

90%:1018
80%:467
70%:214
60%:108

Synthon-Lab
sl at synthon-lab.com
p.+7 812 428 4885
f.+7 812 428 4885

20000
2007

71537

0
16670
NYA

90%:N/A
80%:5394
70%:1945
60%:701

Synthonix
info at synthonix.com
p.phone
f.fax

605
2007

200

398
40
NYA

90%:168
80%:103
70%:68
60%:36

TimTec
info at timtec.net
p.(302) 292-8500
f.(302) 292-8520

93000
2005.11

351024

19202
35694
NYA

90%:4780
80%:2753
70%:1380
60%:651

Tocris
customerservice at tocris.co.uk
p.+44 117 916 3333
f.+44 117 916 3344

974
2005.10

1099

162
276
NYA

90%:751
80%:673
70%:583
60%:470

Toslab
toslab at toslab.com
p.+7 343 3754135
f.+7 343 3754135

15301
2005.6

17723

443
9644
NYA

90%:6576
80%:3742
70%:2289
60%:1387

Tyger
sales at tygersci.com
p.(888) 329-8990
f.(609) 434-0143

2670
2005.10

3101

150
1291
NYA

90%:1600
80%:983
70%:588
60%:342

Vitas-M
boerrigter at vitasmlab.com
p.+31 (0) 55 50 500 33
f.+31 (0) 55 50 500 34

243000
2005.6

435869

0
132331
NYA

90%:N/A
80%:N/A
70%:N/A
60%:N/A

World Molecules
info at worldmolecules.com
p.phone
f.fax

30000
2008.7

6690

1000
6209
NYA

90%:3816
80%:2810
70%:2096
60%:1506

Zannan
business at zannanpharma.com
p.+86-21-5442-6233
f.+86-21-5442-6233

1398
2007

1583

75
1241
NYA

90%:496
80%:245
70%:112
60%:60

ZINC natural products
info at docking.org
p.1.800.AUNATUREL
f.1.800.WHATSAFAX

5000
2008.5

89425

100
4210
NYA

90%:20444
80%:9685
70%:4944
60%:2360

We have generated protonated forms in 3 pH ranges. The reference structure ("ref") is a single representative structure at pH 7. The middle pH range ("mid") contains additional protonated forms obtained by titrating protons with pKa between 5.75 and 8.25. The low pH range ("lo") contains additional protonated forms between pH 4.5-7 and the high pH range ("hi") contains additional protonation forms between pH 7-9.5.

Databases are divided into chunks for easier download. mol2 and sdf slices are 100MB or less uncompressed. Flexibase are 160MB or less uncompressed.

To download all files in the usual pH range (5.75-8.25) use "Usual". To download databases for metalloenzymes use "Metal", which adds the pH range 7-9.5 to usual above. For the entire pH range 4.5-9.5 please use "All".

We also offer tables of Molecular Properties, purchasing information, and Inchi files.

A product of BCIRC, the Bioinfomatics and Chemical Informatics Research Center @ UCSF. Last updated May 6, 2008. bug reports to support at docking.org; comments to comments at docking.org; questions and discussion to blaster-fans at docking.org.