UCSF

ZINC00394530

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) -0.39 0.86 -94.91 6 2 2 55 144.262 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 230?/10mm Alfa-Aesar
Boiling_Point 230°/10mm Alfa-Aesar
Boiling_Point 239-244? Alfa-Aesar
Boiling_Point 239-244° Alfa-Aesar
Melting_Point 59-63? Alfa-Aesar
Melting_Point 59-63° Alfa-Aesar
PUBCHEM_PATENT_ID US5821240 IBM Patent Data

Activity (Go SEA)

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