UCSF

ZINC18172925

Annotations

Vendors

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) 1.56 6.63 -10.78 1 3 0 34 191.259 1
Mid Mid (pH 6-8) 2.29 6.72 -46.57 0 3 -1 31 190.251 1

Vendor Notes

Note Type Comments Provided By
MP 165 - 167 Enamine Building Blocks
MP 165...167 Enamine Building Blocks
mp 187 MolMall (formerly Molecular Diversity Preservation International)
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.