UCSF

ZINC19168381

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) -1.53 -0.77 -38.49 5 3 1 55 116.188 1
Mid Mid (pH 6-8) -1.53 -1.73 -38.78 5 3 1 55 116.188 1
Mid Mid (pH 6-8) -1.53 -0.98 -104.26 6 3 2 56 117.196 1
Mid Mid (pH 6-8) -1.53 -0.3 -99.63 6 3 2 59 117.196 1

Vendor Notes

Note Type Comments Provided By
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% )

No pre-computed analogs available. Try a structural similarity search.