UCSF

ZINC17780109

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) -0.61 -2.22 -32.93 4 5 0 96 127.103 0
Mid Mid (pH 6-8) -0.61 -2.68 -50.48 3 5 -1 95 126.095 0

Vendor Notes

Note Type Comments Provided By
mp 157 - 159 MolMall (formerly Molecular Diversity Preservation International)
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Mp [°C] >300 Acros Organics
M.P >300 °C Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
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% )