ZINC - A free database for virtual screening

Compose a query by specifying molecular property constraints on the left, molecule constitution constraints on the right. You may also specify ZINC IDs, original catalog numbers, and SMARTS, below.

≤	Net charge	≤
≤	xLogP	≤
≤	Rotatable bonds	≤
≤	# H-donors	≤
≤	# H-acceptors	≤
≤	Polar desolvation	≤
≤	Apolar desolvation:	≤
≤	Polar surface area:	≤
≤	Molecular weight	≤
Purchasable? Avail?
ZINC codes (1 per line) Or upload a list of ZINC codes
Vendor - (latest catalog loaded) Supplier catalog number:

Please enable Java and JavaScript to use the molecule editor
from sketch above or type by hand below.

Or upload SMILES/SMARTS from file

Similar to ZINC code:
Annotation: SEA Prediction:

- No time limit

Notes

SMILES/SMARTS are ORed together
ZINC codes are ORed together
SMILES, ZINC codes and all other constraints are ANDed together.
Each page contains up to 100 molecules
Please allow one minute for the search to complete. Search time may be even longer if you specify SMILES/SMARTS.

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.