UCSF

ZINC00967226

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) 2.64 -1.12 -4.84 1 1 0 20 172.227 2

Vendor Notes

Note Type Comments Provided By
BP 179 / 15 TCI
BP [°C] 186 (p=17.25 torr) Acros Organics
Boiling_Point 186?/17mm Alfa-Aesar
Boiling_Point 186°/17mm Alfa-Aesar
MP 60 TCI
Melting_Point 60-64? Alfa-Aesar
Melting_Point 60-64° Alfa-Aesar
MP 60° Fluorochem
Mp [°C] 61 - 65 Acros Organics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% min APIChem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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