UCSF

ZINC48904191

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 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) -0.08 -2.12 -12.69 2 7 0 87 288.373 5
Mid Mid (pH 6-8) -0.08 0.14 -52.23 3 7 1 89 289.381 5

Activity (Go SEA)

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