UCSF

ZINC25365189

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 19 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) 3.92 5.78 -8.97 1 3 0 46 299.754 3
Mid Mid (pH 6-8) 3.92 5.85 -37.98 0 3 -1 48 298.746 3

Activity (Go SEA)

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