UCSF

ZINC00074152

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) 0.47 4.3 -8.75 0 4 0 57 154.121 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 178-180?/60mm Alfa-Aesar
Boiling_Point 178-180°/60mm Alfa-Aesar
mp 191 - 192 MolMall (formerly Molecular Diversity Preservation International)
BP 260 TCI
MP 65 - 67 Enamine Building Blocks
MP 65...67 Enamine Building Blocks
MP 68 TCI
Melting_Point 68-72? Alfa-Aesar
Melting_Point 68-72° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.