UCSF

ZINC47225564

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.96 8.41 -9.87 1 4 0 45 273.38 3
Mid Mid (pH 6-8) 2.96 8.54 -30.19 2 4 1 46 274.388 3

Activity (Go SEA)

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