After registration, all mcule users get immediate access to the Free package. All features of the Free package are included in the other packages. Here is a list of features and tools that are available in the Free package:

• Exact search

• Bulk exact search

• Similarity search

• Multi similarity search

• Substructure search

• Basic property filter

• Docking (Vina)

• Diversity selection

• Sampler

• Purchasable compounds collection (> 5M compounds, carefully curated, up-to-date)

• Compound ordering and delivery (fast quote, single package, large collections, reformatting)

• Collection management (create, add, remove, export molecules)

• NCI (National Cancer Institute) screening collection (coming soon!)

• ChEMBL collection (reference molecules with activity data) (coming soon!)

Learn more »

• Physicochemical properties: Basic

• Docking package: 500 input molecules per month

• Diversity selection: 10,000 input molecules per month

• REOS filter: Not available

• SMARTS filter: Not available

• Product filter: Not available

• FTrees Visual Similarities: Not available

• Molecule upload: max 500 molecules (if some of them are delete, new molecules can be uploaded)

• Collections: 20

• Collection size: 1,000

• Instant Quote: Not Available

• Docking target upload: Not available

• Docking input 3D generation: Basic

• Property calculator: Basic

• Toxicity checker: Not available

• 1-Click Scaffold Hop - input collection size: 10,000

• 1-Click Scaffold Hop - hits displayed: 5 (3 for anonymous users)

• 1-Click Applications history: 3