UCSF

ZINC02013555

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) 3.77 2.16 -1.67 0 0 0 0 134.222 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 43 Acros Organics
MP 43 - -41 Enamine Building Blocks
MP 43 - -43 Enamine Building Blocks
M.P 43 °C Indofine
Melting_Point 43? Alfa-Aesar
Melting_Point 43° Alfa-Aesar
MP 44 - -43 Enamine Building Blocks
MP 45 - -43 Enamine Building Blocks
MP 45...-43 Enamine Building Blocks
Boiling_Point 182-184? Alfa-Aesar
Boiling_Point 182-184° Alfa-Aesar
BP [°C] 184 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
APPEARANCE clear colorless liquid Indofine
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
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.