Input

Two types of queries are possible :
  • The tab I want to search for possible replacements for a fragment
    e.g. all replacing fragments for a morpholine ring )

    Input the fragment in the sketcher with one, two or three attachment points tagged R1, R2 and R3 using the 'Smart R-group' button. Then click 'Query Database'.

  • The tab I want to get information on a given molecular replacement
    e.g. analysis of replacing morpholine by 3-pyridine )

    Input the fragment to be replaced in the left-hand sketcher and the replacing fragment on the right-hand sketcher. Add one, two or three attachement points (R1, R2, R3) on the left-hand fragment, and the corresponding ones on the right-hand fragment with the 'Smart R-group' buttons. Then click 'Query Database'.

N.B. Both sketchers are identical; every feature available for one sketcher is also present in the other one.

Examples can be found here.

Candidate fragments output

Replacement occurrences output