AKK(thioAc)LM21

Ligand id: 8816

Name: AKK(thioAc)LM21

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 8
Rotatable bonds 28
Topological polar surface area 275.16
Molecular weight 647.35
XLogP -1.09
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

References
1. Kokkonen P, Rahnasto-Rill M, Kiviranta PH, Huhtiniemi T, Laitenen T, Poso A, Jarho E, Lahtela-Kakkonen M. (2012)
Peptides and Pseudopeptides as SIRT6 Deacetylation Inhibitors.
ACS Med Chem Lett.3: 969-974.