UCSF

ZINC19172755

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) -1.12 -0.05 -45.55 4 3 1 53 124.167 2
Mid Mid (pH 6-8) -1.12 0.72 -37.59 4 3 1 56 124.167 2
Mid Mid (pH 6-8) -1.12 0.16 -5.12 3 3 0 51 123.159 2
Lo Low (pH 4.5-6) -1.12 0.35 -100.58 5 3 2 54 125.175 2

Vendor Notes

Note Type Comments Provided By
MP 185 - 187 Enamine Building Blocks
MP 185...187 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% )