User Tools

Site Tools


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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:



  • NCI (National Cancer Institute) screening collection (coming soon!)
  • ChEMBL collection (reference molecules with activity data) (coming soon!)

Features & limitations of the free plan

Learn more »

  • Instant Quote: Available
  • Product filter: Not available
  • FTrees Visual Similarities: Not available
  • Physicochemical properties: Basic
  • Docking package: 500 input molecules per month
  • Diversity selection: 10,000 input molecules per month
  • Max nb of collections: 20
  • Max nb of molecules in one collection: 1,000
  • REOS filter: Not available
  • SMARTS filter: Not available
  • 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
  • Molecule upload: max 500 molecules (if some of them are delete, new molecules can be uploaded)
  • Collections: 20
  • Collection size: 1,000
  • Docking target upload: Not available
  • Docking input 3D generation: Basic
freepackage.1389806918.txt.gz · Last modified: 2014/01/15 18:28 by flack