UCSF

ZINC00388288

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) -0.63 -5 -5.35 3 3 0 61 134.175 4

Vendor Notes

Note Type Comments Provided By
BP 149 / 2 TCI
BP [°C] 160 (p=0.53 torr) Acros Organics
Boiling_Point 296-298? Alfa-Aesar
Boiling_Point 296-298° Alfa-Aesar
MP 56 - 58 Enamine Building Blocks
Mp [°C] 56 - 60 Acros Organics
MP 56...58 Enamine Building Blocks
MP 58 TCI
Melting_Point 59-60? Alfa-Aesar
Melting_Point 59-60° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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