UCSF

ZINC04637222

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) 1.84 5.16 -44.79 3 4 1 55 230.291 2
Mid Mid (pH 6-8) 1.84 3.81 -8.03 2 4 0 50 229.283 2
Lo Low (pH 4.5-6) 1.84 5.61 -105.11 4 4 2 56 231.299 2

Vendor Notes

Note Type Comments Provided By
melting_point 185 - 186 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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