UCSF

ZINC02049222

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Vendors

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) 2.03 -1.62 -52.79 2 6 -1 98 280.3 6

Vendor Notes

Note Type Comments Provided By
MP 133-135 °C(lit.) Indofine
Mp [°C] 135 - 140 Acros Organics
Melting_Point 141? dec. Alfa-Aesar
Melting_Point 141° dec. Alfa-Aesar
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO2000027790A1 IBM Patent Data

Activity (Go SEA)

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