UCSF

ZINC05759165

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.03 10.59 -110.02 4 3 2 41 334.548 10
Mid Mid (pH 6-8) 4.03 8.33 -40.68 3 3 1 40 333.54 10

Activity (Go SEA)

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