UCSF

ZINC02555158

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) 2.74 1.75 -7.01 0 1 0 17 217.037 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 150?/12mm Alfa-Aesar
Boiling_Point 150°/12mm Alfa-Aesar
MP 48-50° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0735142A2; US5717116 IBM Patent Data
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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