UCSF

ZINC02575479

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) -0.29 3.96 -50.81 0 5 -1 70 188.203 4

Vendor Notes

Note Type Comments Provided By
MP 83 - 85 Enamine Building Blocks
Mp [°C] 86 - 90 Acros Organics
MP 88 - 90 Enamine Building Blocks
MP 88-90 °C Indofine
Melting_Point 88-93? Alfa-Aesar
Melting_Point 88-93° Alfa-Aesar
MP 88...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0604368A1; EP0604368B1; US5753652 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

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