1,3-ditolylguanidine

Ligand id: 6684

Name: 1,3-ditolylguanidine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 50.41
Molecular weight 239.14
XLogP 5.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
sigma non-opioid intracellular receptor 1 Cp Agonist Full agonist 7.4 pKi - 1
pKi 7.4 (Ki 3.545x10-8 M) [1]
σ2 Cp Agonist Full agonist 7.4 pKi - 1
pKi 7.4 (Ki 3.987x10-8 M) [1]