UCSF

ZINC05225545

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) 0.35 -8.13 -44.69 4 8 -1 135 342.711 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0663959B1; US5443987; US5464755; US5510243; US5541082; US5726031; US5846761; US6046016; US6063590; US6136554 IBM Patent Data
PUBCHEM_PATENT_ID WO1997036001A1 IBM Patent Data

Activity (Go SEA)

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