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Explore with Mercury

Discover preferred intra- and intermolecular interactions and engineer changes to satisfy these requirements using Full Interaction Maps. Interpret crystal packing and compare with CSD data using powerful packing feature, similarity and motif searches, and hydrogen bond propensity analysis. Understand the effects of hydration on your solid forms with the Hydrate Analyser Explore and analyse even the most complex solvates with the Solvate Analyser. Explore the structures of potential co-crystals using the new molecular complementarity tool. Explore solid-state molecular geometry using the CSD-driven Conformer Generator – unique because all results are validated by all the latest experimental data from the CSD. Understand solid form stability with the solid form risk assessment tools; Hydrogen Bond Statistics, Hydrogen Bond Propensity, Aromatic Analyser and Full Interaction Maps. Communicate your results with new high impact graphics and 3D printing support, highlighting lattice void spaces and channels.

Connect with the CSD Python API

Create, or download from our portal, CSD-driven analyses and workflows. Publish them to your own menu in Mercury.

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There are approximately 160 000 structures in the hydrate subset of the CSD.