UCSF

ZINC04923861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 27 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) 4.27 11.74 -46.46 1 4 1 38 404.987 4
Mid Mid (pH 6-8) 4.27 9.53 -9.48 0 4 0 36 403.979 4

Activity (Go SEA)

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