UCSF

ZINC49122836

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 20 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) 1.98 7.67 -45.87 2 4 1 37 296.822 5
Mid Mid (pH 6-8) 1.98 5.45 -9.1 1 4 0 36 295.814 5

Activity (Go SEA)

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