UCSF

ZINC02159768

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) 1.45 4.68 -48.05 0 2 -1 40 137.158 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 136-138?/14mm Alfa-Aesar
Boiling_Point 136-138°/14mm Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000027823A1 IBM Patent Data

Activity (Go SEA)

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