UCSF

ZINC34685778

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 23 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) 0.62 3.1 -52.38 2 6 1 59 320.413 4
Mid Mid (pH 6-8) 0.62 3.96 -44.52 2 6 1 55 320.413 4
Mid Mid (pH 6-8) 0.62 1.73 -12.25 1 6 0 54 319.405 4
Mid Mid (pH 6-8) 0.62 5.33 -112.39 3 6 2 60 321.421 4

Activity (Go SEA)

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