UCSF

ZINC40405721

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 2.60 8.83 -116.31 3 4 2 39 296.846 7
Hi High (pH 8-9.5) 2.60 7.4 -45.92 2 4 1 34 295.838 7
Hi High (pH 8-9.5) 2.60 5.25 -5.6 1 4 0 33 294.83 7

Activity (Go SEA)

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