UCSF

ZINC42062782

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) -0.69 1.27 -6.31 3 3 0 55 176.219 1
Ref Reference (pH 7) -0.69 1.26 -5.08 3 3 0 55 176.219 1
Mid Mid (pH 6-8) -0.69 1.58 -44.12 4 3 1 57 177.227 1
Mid Mid (pH 6-8) -0.69 1.58 -44.11 4 3 1 57 177.227 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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