UCSF

ZINC03880912

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) 1.83 5.38 -6.71 0 2 0 26 176.215 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 114 - 116 (p=0.2 torr) Acros Organics
Boiling_Point 114-116?/0.2mm Alfa-Aesar
Boiling_Point 114-116°/0.2mm Alfa-Aesar
Mp [°C] 28 - 35 Acros Organics
Purity 95% Matrix Scientific
Purity 97% Fluorochem
Melting_Point ca 35? Alfa-Aesar
Melting_Point ca 35° Alfa-Aesar
PUBCHEM_PATENT_ID EP0761659A1; EP0826670A1 IBM Patent Data
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% )