UCSF

ZINC31554862

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) 3.96 11.81 -16.55 0 4 0 60 404.522 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0067671A2; EP0076158A2; EP0076636A1; EP0132384A2; EP0339035A1; EP0339035B1; EP0489068B1; EP0691992B1; US4438258; US4528365; US4584188; US4814182; US4882166; US5096896; US5236966 IBM Patent Data

Activity (Go SEA)

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