UCSF

ZINC85224298

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 11 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.22 0.35 -5.83 2 3 0 49 152.128 0
Hi High (pH 8-9.5) 1.22 1.1 -37.83 1 3 -1 52 151.12 0
Hi High (pH 8-9.5) 1.22 1.19 -48.98 1 3 -1 52 151.12 0
Mid Mid (pH 6-8) 1.22 0.43 -8.53 2 3 0 49 152.128 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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