UCSF

ZINC00967801

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) 2.65 -0.21 -1.95 1 1 0 20 154.253 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0339414A2; EP0339414B1; EP0405346B1; EP0407830A2; EP0407830B1; US5235443; US5242619; US5295009; US5327273; US5486310; US6043370 IBM Patent Data

Activity (Go SEA)

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