UCSF

ZINC40769413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 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) 0.90 1.18 -12.37 2 7 0 76 350.444 6
Mid Mid (pH 6-8) 0.90 3.44 -48.62 3 7 1 77 351.452 6

Activity (Go SEA)

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