UCSF

ZINC00158246

Annotations

Vendors

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) 3.21 -0.15 -5.5 1 2 0 29 186.21 2

Vendor Notes

Note Type Comments Provided By
BP 167 / 3 TCI
Boiling_Point 177-180?/9mm Alfa-Aesar
Boiling_Point 177-180°/9mm Alfa-Aesar
MP 80-84° Oakwood Chemical
MP 83 TCI
Melting_Point 83-85? Alfa-Aesar
Melting_Point 83-85° Alfa-Aesar
MP 84 - 86 Enamine Building Blocks
MP 84...86 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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