UCSF

ZINC03956807

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) 5.55 4.52 -18.12 0 9 0 114 504.491 12

Vendor Notes

Note Type Comments Provided By
Mp [°C] 128 - 130 Acros Organics
Melting_Point 128-130? Alfa-Aesar
Melting_Point 128-130° Alfa-Aesar
MP 129 TCI
Purity 95% Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0348446A1; EP0348446B1; EP0636372A1; EP0636372B1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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