New forchemical vendors: Chemical Structure-Searchable CDROM Catalogs
Software Features and Versions | ChemDBsoft Lite Demo | ChemDBsoft Lite | ChemDBsoft Standard |
Download | Buy it now | ||
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): | ✘ | ✘ | ✔ |