UCSF

ZINC00406114

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) -0.43 3.47 -36.26 3 3 0 68 179.219 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 210 Acros Organics
Melting_Point 293-294? dec. Alfa-Aesar
Melting_Point 293-294° dec. Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO1999036431A1 IBM Patent Data

Activity (Go SEA)

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