More

REAL space navigator

Fast and efficient exploration of REAL space

REAL Space Navigator is a chemoinformatics software tool generating REAL compounds that are similar to the query structure. It provides an efficient alternative solution to searching REAL Database, classical compound database, which size can be prohibitive for many CADD approaches. REAL Space Navigator has been developed jointly with BioSolveIT. The tool can select from over 11 billion theoretical REAL compounds. It enumerates only such of them that are close to the query structure. This vast resource allows for efficient hit exploration, from finding previously unknown analogues to scaffold hopping. The chemical space is based on more than 121 Enamine synthesis protocols and in-stock building blocks. It provides an escape from availability bias of current stock screening collections towards IP free areas. The average search time in this space is between 2 and 4 minutes on a standard PC. Simply download → install & execute to explore 11 billion molecules for free within less than 5 minutes.

  • the compounds generated are virtual but they are REAL – readily accessible!
  • synthesis time is 3 weeks with success rate over 80%!
  • with 11 billion molecules it is the world's largest, ultra-fast searchable chemical space
  • search time 2 to 4 minutes on average for a typical lead
  • exceptional scaffold hopping capabilities allow you to explore IP free areas

Availability

Download REAL Space Navigator for your platform (Note that at least 4Gb of main memory are required):

Linux x64 |  Windows x64 |  macOS

Current version of the REAL space can be downloaded here.

Help

REAL Space Navigator is super-easy to use. Yet, just in case, here is a little bit of help, as well as an introductory deck of slides.

REAL compounds

FOLLOW US

Contact us

Send a message