Molecular simulations were performed for perturbations grafted onto a common benzene scaffold (figure and ). Although no relation is observed between the change in molecular weight and the associated SEM ∆G solvated for a given perturbation (figure ), an increase in median SEM ∆G solvated can be observed by increasing the number of heavy atoms perturbed, although it is clear that there are exceptions to this rule as outliers are present in every scale (figure ).