Fig. 3. Charge and scores for herbicidal MMV400 compounds vs. commercial herbicides. (A) Herbicidal MMV400 and commercial herbicides tend to be neutral or negatively charged. The formal charge was calculated at pH 7.4: positive formal charge means that a molecule exists in solution in cationic form, negative charge – anionic form, and zero charge corresponds to neutral form; (B) distributions of scores for ‘herbicide-likeness’ for herbicidal MMV400 compounds and commercial herbicides. The MMV400 compounds that were only herbicidal on plates demonstrate a much wider distribution of scores, whereas the soil-active MMV400 closely matched the pattern of commercial herbicides.