UCSF

ZINC22916543

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) 2.64 7.53 -40.1 2 2 1 20 245.39 2
Lo Low (pH 4.5-6) 2.64 9.01 -120.44 3 2 2 21 246.398 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0788511A1; US6107458; WO1996011210A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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