UCSF

ZINC05764808

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) -1.84 -0.39 -45.85 2 5 1 58 342.415 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0613879A1; EP0872903A1; EP0929309A1; US4757124; US4758639; US6096144; US6113909; WO1992020645A1; WO1999007399A1; WO2000054793A1 IBM Patent Data

Activity (Go SEA)

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