Chemical, Target, and Bioactive Properties of Allosteric Modulation
Figure 5
Mean value (and standard deviation) of several physicochemical properties calculated for both allosteric and non-allosteric ligands of Class B GPCRs.
To plot all properties within one order of magnitude, a number of properties were scaled, dividing the mean value by 10 (e.g. logP) or by 1000 (e.g. molecular weight). Differences occurred for properties related to size (e.g. molecular weight, number of chains, number of hydrogen bond acceptors). However properties that were not correlated to size showed smaller differences (e.g. fraction of carbon). Note that the allosteric compounds were more rigid (higher sp2 hybridized carbon fraction, higher aromatic bonds fraction, higher rigidity index). For the full figure see supporting Figure S3.