UCSF

ZINC48812196

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 2.84 5.84 -10.03 0 4 0 41 352.406 4
Mid Mid (pH 6-8) 2.84 8.05 -52.77 1 4 1 42 353.414 4

Activity (Go SEA)

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