UCSF

ZINC42461217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.72 3.27 -48.88 3 4 1 57 249.334 2
Hi High (pH 8-9.5) 0.72 2.87 -7.92 2 4 0 56 248.326 2

Activity (Go SEA)

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