UCSF

ZINC39255906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) 2.47 4.18 -2.77 1 1 0 12 181.666 0
Mid Mid (pH 6-8) 2.47 5.55 -44.85 2 1 1 17 182.674 0

Activity (Go SEA)

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