UCSF

ZINC57879091

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 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) 2.63 8.15 -55.87 2 4 1 57 292.79 4
Mid Mid (pH 6-8) 2.63 5.92 -10.78 1 4 0 56 291.782 4

Activity (Go SEA)

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