UCSF

ZINC04201294

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) 2.35 5.25 -43.48 3 2 1 32 187.266 0
Mid Mid (pH 6-8) 2.35 3.87 -5.03 2 2 0 28 186.258 0

Vendor Notes

Note Type Comments Provided By
melting_point 2.700000000000000e+002 - 2.710000000000000e+002 KeyOrganics
melting_point 270 - 271 KeyOrganics
MP 270-271° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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