UCSF

ZINC29493217

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) 2.43 4.04 -41.41 4 4 1 65 328.432 4
Hi High (pH 8-9.5) 2.43 1.83 -7.41 3 4 0 64 327.424 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0398578A2; EP0584192A1; US5185343; US5272160; US5338754; US5391742; US5527912; US5696126; US5710168; WO1992018502A1 IBM Patent Data

Activity (Go SEA)

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