WebCSD - easy and convenient access to the wealth of structural knowledge contained in the CSD.


WebCSD allows users to search for a specific structure and also find the context of the structure in relation to its originality and/or comparison to other known molecules. Original deposited data can be obtained and exported for further analysis.

Gain big-data insights with multiple search options by substructure, reference, unit cell and text terms including known polymorphs and subsets. For more advanced searches, including 3D, context and criteria mapping, see ConQuest. For on-site access to proprietary data see On-Site WebCSD.


Ease of access

Online searching with no installation required.

Obtain the deposited data

Obtain original deposited data and export results for further analysis.

Chemical substructure search

Search from a 2D molecular sketch including chemical constraints such as charge, hybridization state, and cyclicity.

Integration with other databases  

Allows viewing of the ICSD and provides links to other non-structural databases such as DrugBank.

Wide range of text and numeric database search options

Locate structures based on compound name, formula, elemental composition, literature reference and experimental details.



  • How many searches can I perform?
    • If you are not a licenced user - Access Structures allows you to perform literature searches. The number of results are limited for bandwidth and data preservation. (simple search only tab)

    • If you are a licenced user - WebCSD allows more search options (structure, unit cell, formula searches) and you can return more results.

  • We would like to access proprietary data - is there an 'on premise' solution?