UCSF

ZINC19045779

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) 2.47 3.64 -8.51 2 4 0 48 272.348 4
Mid Mid (pH 6-8) 2.47 6.04 -37.95 3 4 1 49 273.356 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000055152A1 IBM Patent Data

Activity (Go SEA)

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