It should be noted that these geometries and relative energies are computed in the gas-phase at a temperature that is considered to be 0 K. Consequently, these results cannot be directly transferred to how the compounds behave at body temperature and under physiological conditions. There are other theoretical methods that are better for considering what conformations ligand adopt upon interacting with binding sites, for example molecular dynamics (MD) calculations. Never-the-less, the results herein provide a starting point for understanding their possible conformational space, incorporating these compounds into MD models and correlating their 3D structures to other observables (e.g. similarity calculations).