UCSF

ZINC53993660

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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) 0.16 1.3 -4.87 2 3 0 52 131.175 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 138 - 142 Acros Organics
MP 138-142° Oakwood Chemical
MP 141 - 143 Enamine Building Blocks
MP 141-143 °C(lit.) Indofine
MP 141...143 Enamine Building Blocks
Boiling_Point 29-31?/2mm Alfa-Aesar
Boiling_Point 29-31°/2mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Melting_Point ca 140? dec. Alfa-Aesar
Melting_Point ca 140° dec. Alfa-Aesar
SOLUBILITY H2O: 0.1 g/mL, clear, colorless Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.