Figure 7.

(A) Overview of the distribution of the diverse subset of 26 conformations in the five structural clusters of each PROTAC in chemical property space defined by the R_gyr and SA 3D PSAs. Regions of property space that display greater structural diversity, that is, which are more densely populated by the selected conformations, are indicated by green-yellow color and by the contour lines. (B) Distribution of conformations with different folds in the chemical property space. Folded conformations are in green, semi-folded in blue, and linear conformations are in red, just as in Figure 6. Note that some conformations populate identical property space and are therefore superimposed in panels A and B.