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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
Availability: 
ZINC codes (1 per line)

Or upload a list of ZINC codes
Vendor - (latest catalog loaded)

Supplier catalog number:


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 Aug 6, 2009. questions and discussion to zinc-fans at docking.org; bug reports to support at docking.org; any other correspondence to comments at docking.org. Terms of use. Privacy policy.