UCSF

ZINC03831428

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) -1.43 -10.95 -148.79 4 13 -2 213 454.332 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.68e-01 g/l DrugBank-experimental
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
PUBCHEM_PATENT_ID EP0027631A1; EP0955050A1; US4255566; US4259232; US4668630; US5095115 IBM Patent Data

Activity (Go SEA)

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