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Online Catalog - Search by Structure

This Java applet allows you to draw the substructure you are looking for and search for all the chemicals containing this structure. Draw the molecules and click the any SEARCH buttons. Java-VM and JavaScript have to be enabled in your browser!

Menu Buttons

CLR - Clears the editing area.
NEW - Creates a new fragment to draw an additional molecule (i.e. specific salt form).
DEL - Switches to eraser mode (click to atoms or bonds to delete them).
D-R deletes functional groups - choose this option and then click on the bond connecting the group with the main skeleton.
Atomic charges may be changed by the +/- button. Editor enables modification of charges only in "reasonable" cases. If you are not satisfied with the editor's inteligence (concerning charges and the explicit number of hydrogens) you can force your will by using the X button.
UDO - undo last editing step.
"Non-organic" atoms or atoms with nonstandard valence may be entered with help of X button by specifying atomic SMILES (without [] brackets, i.e. Si, Fe++, NH3+).

Molecule may be moved by clicking mouse close to object and dragging it to where you want it placed.

Additional Information

How to use structure search? and JME help

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JME Editor courtesy of Peter Ertl, Novartis. If you have problems with using our online catalog please send e-mail.

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