UCSF

ZINC40808695

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 0.90 6.02 -46.54 3 7 1 87 329.38 5
Mid Mid (pH 6-8) 0.90 5.51 -16.83 2 7 0 85 328.372 5

Activity (Go SEA)

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