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replacement example
ChEMBL version:17
Data points:19'523'709
Status:14.01.2014
Release:1.2.17
This web service is free for non-commercial use.

Commercial users find more information here.

Welcome to the SwissBioisostere database

This website provides access to our knowledgebase of molecular replacements, useful for compound optimization in drug design.

Two different queries are possible:

  • you are interested in a range of possible replacements for a single substructure
    e.g. replacements for an amide group )
  • you want to know details about a particular substructural replacement of interest
    e.g. carboxylic acid vs. tetrazole )

Depending on your question, please enter either one or two substructures of interest in the following molecular sketchers. By submitting via "Query Database" the database will be queried.


For a replacement A->B query, please indicate attachment points in your substructures by R-groups R1-R3.

Examples can be found here.

Fragment 1Fragment 2
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