UCSF

ZINC00120878

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) 1.03 3.84 -7.91 0 3 0 39 171.221 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 47 - 48 Acros Organics
Melting_Point 54-56? Alfa-Aesar
Melting_Point 54-56° Alfa-Aesar
mp 55 - 58 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
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% )