Table 2:
FreeSolv database version 0.52: experimental hydration free energies for small neutral molecules.
| Number of molecules in the dataset | 642 |
| Average number of heavy (non-H) atoms | 8 ± 4.5 |
| Largest molecule number of atoms (non-H) | 24 |
| Average hydration free energy, μ ± σ | −3.80 ± 3.85 kcal/mol |
| Hydration free energy range | (−25.47, 3.43) kcal/mol |
| Average experimental uncertainty, μ ± σ | 0.57 ± 0.31 kcal/mol |
| Experimental uncertainty range | (0.03, 1.93) kcal/mol |
| Elements (most to least frequent) | H, C, O, Cl, N, F, S, Br, P, I |