UCSF

ZINC19942855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 11 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) 1.56 2.96 -5.97 2 3 0 52 155.197 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0116518A1; EP0708773A1; EP0708773B1; US4664695; US5352784; US5444065; US5627281; US5648516; US5886006; WO2000035885A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.