UCSF

ZINC57867571

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 21 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) 0.91 2 -11.27 3 5 0 75 289.379 5
Mid Mid (pH 6-8) 0.91 3.96 -37.27 4 5 1 77 290.387 5

Activity (Go SEA)

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