UCSF

ZINC48372247

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 2.37 4.26 -13.76 0 6 0 68 295.726 6
Mid Mid (pH 6-8) 2.37 6.54 -51.2 1 6 1 70 296.734 6

Activity (Go SEA)

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