UCSF

ZINC00404467

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) 0.83 3.88 -5.01 0 2 0 34 140.182 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 112-115? Alfa-Aesar
Melting_Point 112-115° Alfa-Aesar
mp 114 MolMall (formerly Molecular Diversity Preservation International)
Boiling_Point 120-122?/150mm Alfa-Aesar
Boiling_Point 120-122°/150mm Alfa-Aesar

Activity (Go SEA)

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