UCSF

ZINC13361479

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 5.02 -8.95 1 8 0 89 456.539 6

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DAT_CATRO; DV4H_CATRO; HTOMT_CATRO ChEBI
PUBCHEM_PATENT_ID EP0001920A1; EP0011059A1; EP0012674A2; EP0014053A1; EP0018231A2; EP0036762A2; EP0046686A1; EP0055603A1; EP0064317A2; EP0123441A1; EP0132964A2; EP0153151A2; EP0200225A2; EP0206667A2; EP0207831A1; EP0207831B1; EP0215058A1; EP0259149A2; EP0259149B1; EP026437 IBM Patent Data
Patent Database Links EP1118616; US2004034217 ChEBI

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