UCSF

ZINC03831571

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 35 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) 4.55 -3.25 -10.61 1 6 0 66 478.585 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0253901A1; EP0253901B1; EP0688566A1; EP0688566B1; EP0796100A1; EP0970694A3; EP0981339A1; EP1021204A2; EP1023895A2; US4251520; US4707360; US4990340; US5446070; US5562901; US5656286; US5719197; US5795909; US6024976; US6034122; US6165500; WO1996018403A1; W IBM Patent Data

Activity (Go SEA)

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