• ChemDB Modules
    • ChemDBsoft Lite
    • ChemDBsoft Standard
      • Synthesis Planning
      • Chemical Glossary
      • Barcode Module
      • Template Structures
    • Spectra-PRO
    • Catalogs CD
  • MOLPRO Package
    • SLIPPER
    • MOLDIVS
    • HYBOT-PLUS
      • HYBOT-PLUS Manual
    • DISCON
  • ChemDBsoft Tour

Software Features and Versions


New forchemical vendors: Chemical Structure-Searchable CDROM Catalogs

Software Features and Versions ChemDBsoft Lite Demo ChemDBsoft Lite ChemDBsoft Standard
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Drawing of structures: ✔ ✔ ✔
Search by structure, substructure and similarity: ✔ ✔ ✔
Atoms available for structure drawing: C, N, O, P, S, Cl, Br, F, Si, D All atoms from periodic table. All atoms from periodic table:
Batch SDF import/export: Limited to 10 Unlimited Unlimited
Database size: Limited to 50,000 Limited to 50,000 10,000,000
Number of databases: Unlimited Unlimited Unlimited
Structure templates: 10 70 70
Synthesis planning: ✘ ✘ ✔
Timer(New feature!). Allows setting a data field on alert each time a DB is open. As an example, it is useful for entering expiration dates or order/project due dates. ✘ ✘ ✔
Technical support: ✘ ✔ ✔
Manual: Download Download Paper
Free database of available organic compounds, building Blocks and intermediates: ✔ ✔ ✔
Additional Modules (Purchased separately):
Barcode module: ✘ ✘ ✔
Drug Like properties calculation:
Lipinski, H- Donors, H-Acceptors, Rotation Bonds, N+O, Polar Surface Area (PSA)
✘ ✘ ✔
Diversity and Similarity Analysis and Sorting: ✘ ✘ ✔
Software for HTS and Combinatorial Chemistry:      
Structure Processing (SDF, MOL files browser, editor, converter, analyzer): ✘ ✘ ✔
Spectra Management (NMR, MASS, and IR spectra processing): ✘ ✘ ✔
Chemical Database Web Server Software: ✘ ✘ ✔
Chemical Glossary(20,000 chemicals with names and structures): ✘ ✘ ✔



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Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock

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