UCSF

ZINC00967345

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) 2.73 0.97 -5.14 0 1 0 13 169.227 2
Lo Low (pH 4.5-6) 2.73 1.16 -29.79 1 1 1 14 170.235 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 10-12? Alfa-Aesar
Melting_Point 10-12° Alfa-Aesar
Boiling_Point 140-143?/11mm Alfa-Aesar
Boiling_Point 140-143°/11mm Alfa-Aesar
BP 277 TCI
Purity 99% Fluorochem
Purity 99%MIN APIChem
PUBCHEM_PATENT_ID US5217523 IBM Patent Data

Activity (Go SEA)

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