UCSF

ZINC42170062

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.67 5.42 -33.84 3 4 1 57 249.334 4
Hi High (pH 8-9.5) 2.67 6.43 -50.85 2 4 0 60 248.326 4

Activity (Go SEA)

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