UCSF

ZINC33903617

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 16 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) 2.23 6.14 -42.15 3 2 1 32 213.304 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0074921A1; EP0082808A1; EP0141387A1; EP0185392A2; EP0277805A1; EP0277805B1; EP0885222A1; US4731367; US4748248; US4766128; US4826852; US4839363; US4847262; US4970314; US5212178; US5288724; US5480885; US5547958; US6087371; WO1997030050A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0141387A1; US4970314 IBM Patent Data
Patent Database Links EP1464644; GB2001531; GB2012164; GB2012166; GB2214183 ChEBI
PUBCHEM_PATENT_ID WO2000047571A1 IBM Patent Data

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