Craig plot 2.0

The web tool that allows interactive navigation in the substituent property space defined by Hansch pi hydrophobicity constant and Hammett sigma parameter. The interface allows to visualize and select substituents, "glue" the molecule image to the point representing the substituent or show images for all displayed groups. This option enables for example visualization of the Craig plot for the 26 substituents discussed in the original Craig's paper. The selected substituents may be downloaded as SMILES, including their properties. Selection of part of the plot and zooming to it allows focusing on a particular portion of the property space. An option menu allows selection of various subsets of substituents based on their type (characterised by the root atom of substituent), connection point (type of atom in the molecule to which the substituent is connected), substituent size or substituent frequency. Integrated help provides information about the use of the tool as well as about the keyboard shortcuts that make the work with the tool more efficient.

When you find this tool useful, cite please my related paper in the Journal of Cheminformatics.