UCSF

ZINC00249581

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) 1.81 5.56 -7.46 2 3 0 44 187.246 2

Vendor Notes

Note Type Comments Provided By
mp 112 - 114 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 114-117? Alfa-Aesar
BP 187-192°/8 Torr Matrix Scientific
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
MP 69-70° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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