UCSF

ZINC03978017

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) 2.78 11.23 -52.65 0 5 -1 91 401.523 4
Lo Low (pH 4.5-6) 2.78 9.25 -13.97 1 5 0 89 402.531 4

Vendor Notes

Note Type Comments Provided By
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Therapy choleretic SMDC MicroSource

Activity (Go SEA)

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