The SAMPL7 challenge molecules had weights that ranged from 227 to 365 Da, and varied in flexibility (the number of nonterminal rotatable bonds ranged from 3-6). The dataset had experimental log P values in the range of 0.58-2.96, pK a values in the range of 4.49-11.93, and log D values in the range of -0.87-2.96. Information on experimental data collection is presented elsewhere .