DOWNLOAD DATABASE: The Mcule database can be downloaded in SDF format including Mcule IDs and 2D structures from HERE. It can be processed in-house and you can come back with the Mcule IDs of the best hits to place an order HERE.

The Mcule database contains high quality molecule collections. All of them passed our in-house developed registration system: MAC (Mcule Advanced Curation).

The major part of the database consists of commercially available compounds (Purchasable compounds), that can serve as an input collection for virtual screening. Users can also upload their own molecule collections.

More info on Mcule database:

MAC (Mcule Advanced Curation)

Purchasable compounds collection

NCI collection (coming soon!)

ChEMBL collection (coming soon!)

User collections

Collection management

Molecule index pages

Mcule structure specification levels

Mcule stereo notations