The Chemistry Commons is an effort to facilitate the connections between
- synthetic organic chemists
- biologists seeking new reagents for biology
- as well as medicinal chemists and computational chemists.
- Synthetic organic chemists looking to make their chemistry available to explore.
- Chemists use the chemistry commons to articulate and enumerate libraries of accessible compounds
- With our assistance, libraries in 2D and 3D are prepared and made available.
- Medicinal chemists and biologists seeking new chemistry for their biological targets use our tools to search, download, and dock these libraries
- Compounds are prioritized for synthesis, and an agreement is made between the synthetic chemist and the biology lab testing the compounds
- Ideally, compounds are produced, tested, and, ideally, some compounds will work.
How to get started
If you are a synthetic organic chemist, with a new reaction scheme, please use our tools to define your reaction. CC:Library preparation
If you are a biologist or medicinal chemist, seeking new compounds for your target, you can search the libraries in 2D using Smallworld CC:Smallworld and Arthor CC:Arthor or in 3D using docking or other 3D methods. CC:Docking
If you would like to participate in the chemistry commons, but are not quite sure how to get started, please reach out to chemistry4biology at gmail dot com.
ZINC-22 molecules have the form ZINCnprxnnnnnnnn where
- n indicates the heavy atom count of the molecule
- p indicates the calculated logP of the molecule
- r indicates the research group that orginated the reaction scheme
- x indicates the ordinal number of the reaction scheme from that research group
- n is the ordinal for each molecule in this space.
- numbers are in radix-62, thus [0-9][a-z][A-Z]
Synthetic organic research groups may or may not actually do the synthesis.