Static red & blue representation of pK a values

The static (default) red & blue colour annotation is related to the ionization steps shown in the figure below.

Fig. 1 Static red & blue colouring schema

The static red & blue coloring schema does not depend on the ionic form of a molecule submitted to the pKa calculation. The next three species have the same pKa values and the same colour.

Fig. 2 Calculated pK_a of the deprotonated, neutral and the protonated forms of ammonia in the static red & blue colouring schema

Dynamic red & blue representation of pK a values

The dynamic (non-default setting) red & blue colouring schema depends on the submitted molecule.

Fig. 3 Dynamic red & blue colouring schema

The result of the previous ammonia example with the non-default pK_a calculation:

Fig. 4 Calculated pKa of deprotonated, neutral, and the protonated forms of ammonia according to the dynamic red & blue colouring schema

Differences between the static and the dynamic red & blue colouring schema are summarized in the following table.

Tab. 1 Differences between the static and dynamic red & blue colouring schema