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 including 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.

Included in
  • CSD-Core
  • CSD-Enterprise
  • Academic Research
  • Agrochemical
  • Crystallography
  • Pharmaceutical Software
Use Cases
  • End-to-End Molecular Design
  • Search Known Small Molecules


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.