Craig plot 2.0 by Peter Ertl

• click the point to select it
• shift click to "glue" the molecule image to the point
• use the option menu (the cogged wheel) to select subset of substituents based on their type, attachment point, size etc and set other options
• use the menu items top left to clean the selection or download the selected substituents
• you may zoom to a part of the plot by drag-select
• the following shortcut keys are available: Esc (reset all), a (select all visible points), t (show tags for all visible points), c (show the "original" Craig plot)

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

This tool is released under the BSD-3-Clause license. The code is available at the Github.

Show substituents with root type:
all aliphatic carbon aromatic carbon carbonyl oxygen nitrogen other
(multiple selections are possible)

Show only all 100 200 500 1000 2000 5000 Craig set most common substituents

Show only substituents attached to:
any atom aliphatic carbon aromatic carbon carbonyl oxygen nitrogen
(multiple selections are possible)

Show substituents with up to: all 10 8 5 atoms

Show legend    Show axes    Small molecule images

Update plot Reset all Cancel