UCSF

ZINC04045293

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) -1.72 -5.15 -11.47 3 7 0 105 246.194 2
Hi High (pH 8-9.5) -1.26 -7.92 -49.43 2 7 -1 108 245.186 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 148-151? Alfa-Aesar
Melting_Point 148-151° Alfa-Aesar
BP 150° Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID WO1998017781A1 IBM Patent Data

Activity (Go SEA)

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