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| Ionization class | ΔpKa = pKa (experimental) – pKa (Chemaxon) | n |
|---|---|---|
| all ionizable substances | 0.5 ± 2.6 | 521 |
| just one proton (acid or conjugate acid) | 0.1 ± 1.1 | 166 |
| acids (mono and multiprotic) | 0.3 ± 1.9 | 89 |
| bases (mono and multiprotic) | 0.0 ± 1.2 | 167 |
| amphoteric substances | 0.9 ± 3.2 | 265 |
