UCSF

ZINC00396154

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) 3.29 2.46 -6.6 0 2 0 26 186.21 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 290? Alfa-Aesar
Boiling_Point 290° Alfa-Aesar
MP 71-74° Matrix Scientific
Melting_Point 75-79? Alfa-Aesar
Melting_Point 75-79° Alfa-Aesar
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0524419B1; EP0534257B1; US5270281; US5306688; US5391806; WO1999055661A1 IBM Patent Data
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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