Red and blue annotation of pK_a

The static (default setting) red & blue colour annotation is related to the following ionization steps: The static red & blue coloring schema does not depend on which ionic form of a molecule is submitted to the pKa calculation. The next three species have the same pKa value and the same color.

Calculated pKa of the deprotonated, neutral, and the protonated forms of ammonia according to the default red & blue coloring schema

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

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

Calculated pKa of deprotonated, neutral, and the protonated forms of ammonia according to the non-default red & blue coloring schema

Differences between the static and the dynamic red & blue coloring schema:

	static	dynamic
Subject of calculation	neutral state of the submitted molecule	the submitted molecule
Blue color assigned to	the acid dissociation constant between the neutral base and its conjugated acid	the acid dissociation constant between the submitted base and its conjugated acid
Red color assigned to	the acid dissociation constant between the neutral acid and its conjugated base	the acid dissociation constant between the submitted acid and its conjugated base
setting in the Options panel