UCSF

ZINC02018402

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) -2.30 -5.49 -43.85 5 5 0 108 183.163 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0313380A1; EP0313380B1; EP0496452A1; US4806360; US4855144; WO1999059573A1; WO2000062771A1 IBM Patent Data

Activity (Go SEA)

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