UCSF

ZINC20312884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 14 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) -0.22 1.11 -46.73 4 4 1 57 197.306 6
Mid Mid (pH 6-8) -0.22 2.08 -40.45 4 4 1 60 197.306 6

Activity (Go SEA)

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