UCSF

ZINC38418564

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 18 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) 2.07 6.48 -45.83 2 4 1 46 249.334 5
Hi High (pH 8-9.5) 2.07 5.33 -6.73 1 4 0 42 248.326 5

Activity (Go SEA)

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