UCSF

ZINC07997318

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 25 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) 1.35 3.86 -58.76 3 5 1 71 342.415 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0005636A1; EP0107855A1; EP0144341A1; EP0170090A1; EP0250796A2; EP0263968A2; EP0567205A1; EP0850050B1; EP0911334A1; EP0954314A1; US4089855; US4217353; US4477457; US4478840; US4496570; US4668685; US4673679; US4722928; US4990617; US5071985; US5760044; US59 IBM Patent Data

Activity (Go SEA)

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