Bond Menu

This menu allows changing the type of a bond, and makes bond properties available like bold, topology, reacting center and many more.

Type > Single

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Changes the selected bond type to Single.

Type > Double

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Changes the selected bond type to Double.

Type > Triple

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Changes the selected bond type to Triple.

Type > Aromatic

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Changes the selected bond type to Aromatic.

Type > Single Up

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Changes the selected bond type to Single Up. (Active only in 2D.)

Type > Single Down

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Changes the selected bond type to Single Down. (Active only in 2D.)

Type > Single Up or Down

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Changes the selected bond type to Single Up or Down.

Type > Double Cis or Trans

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Changes the selected bond type to Double Cis or Trans.

Type > Double C/T or Unspec

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Changes the selected bond type to Double Cis/Trans or Unspec.

Type > Single or Double

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Changes the selected bond type to Single or Double.

Type > Single or Aromatic

images/download/attachments/45978112/bond-singleoraromatic24.png

Changes the selected bond type to Single or Aromatic.

Type > Double or Aromatic

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Changes the selected bond type to Double or Aromatic.

Type > Any

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Changes the selected bond type to Any.

Type > Coordinate

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Changes the selected bond type to Coordinate.

Bold

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Changes the selected bond to Bold. See details on bond tool application.

Hashed

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Changes the selected bond to Hashed.

Topology > None

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Unsets the bond topology property.

Topology > In Ring

images/download/attachments/45978199/ring24.png

Sets a bond property so that when the molecule is used as a query, the specified bond must be in a ring to score a hit.

Topology > In Chain

images/download/attachments/45978199/chain24.png

Sets a bond property so that when the molecule is used as a query, the specified bond must be in a chain to score a hit.

Reacting Center > None

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Unsets reacting center query feature of the selected bond.

Reacting Center > Center

images/download/attachments/45978199/center24.png

Sets reacting center query feature on the selected bond: the bond takes part in the reaction.

Reacting Center > Make or Break

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Sets reacting center query feature on the selected bond: the bond is created or disappears in the reaction.

Reacting Center > Change

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Sets reacting center query feature on the selected bond: the bond remains in the reaction, but its bond type changes, for example from single to double.

Reacting Center > Make and Change

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Sets reacting center query feature on the selected bond: currently it works exactly as Center.

Reacting Center > Not Center

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Sets reacting center query feature on the selected bond: the bond must not change in the reaction.

Stereo Search

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Uses stereo configuration of the specified double bond when this molecule is used as a query.

Align > Horizontally

 

Alters the molecule so that the selected bond is oriented horizontally.

Align > Vertically

 

Alters the molecule so that the selected bond is oriented vertically.

Ligand order

 

Changes the order of the attachment of R-group ligands.

Edit Properties

 

Bond properties can be edited from this menu.