UCSF

ZINC31829326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 2.58 3.79 -49.92 3 4 1 49 279.404 6
Mid Mid (pH 6-8) 2.58 5.96 -41.37 3 4 1 49 279.404 6
Mid Mid (pH 6-8) 2.58 6.22 -120.52 4 4 2 51 280.412 6

Activity (Go SEA)

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