UCSF

ZINC00315929

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) -0.86 -7.58 -23.4 2 7 0 94 226.188 1

Vendor Notes

Note Type Comments Provided By
MP 243-245° Oakwood Chemical
Melting_Point 248-251? Alfa-Aesar
Melting_Point 248-251° Alfa-Aesar
ALOGPS_SOLUBILITY 5.62e+01 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

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