Introduction

The Major Microspecies Plugin determines the major (de)protonated form of the molecule at a specified pH. The output of the plugin is the major microspecies displayed in 2D.

Fig. 1 Major Microspecies result window

Options

The plugin offers the following options to set in the Major Microspecies Options window:

• at pH: sets the pH for the calculation

• Take major tautomeric form: if tautomeric forms are more likely to occur, the major one is used to calculate the microspecies.

Fig. 2 Major Microspecies Options window