UCSF

ZINC48747186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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) 0.12 1.87 -16.98 1 6 0 76 286.353 6
Mid Mid (pH 6-8) 0.12 2.05 -48.78 0 6 -1 78 285.345 6

Activity (Go SEA)

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