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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:

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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 Oct 20, 2008. bug reports to support at docking.org; comments to comments at docking.org; questions and discussion to blaster-fans at docking.org.