UCSF

ZINC13283774

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) 0.32 1.15 -7.6 1 3 0 42 134.138 0
Ref Reference (pH 7) 0.71 1.18 -21.29 2 3 0 49 134.138 0
Mid Mid (pH 6-8) 1.17 -0.18 -45.24 1 3 -1 52 133.13 0
Lo Low (pH 4.5-6) 0.33 1.39 -39.55 2 3 1 43 135.146 0

Vendor Notes

Note Type Comments Provided By
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
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% )