Results from Molecule Search

Hit List

The number of hits is shown at the top (in green)

The Query can be Saved, previously saved ones Opened or Modified

The Hit List can be Saved and previously saved ones Opened, (De)selected or Printed off
To select individual hits, use Deselect All then tick the box at the top right hand corner of the selected hits.

You can Download the hit set as:-

A set of Spesi RegNo's (e.g. 0982384-804|0982384-603|0982384-402|0982384-000)
A structure-data file (SDF)
or as a pdf file.

Link to Supplier

If a Supplier exists (out of 23 off-the-shelf and
screening compound Suppliers) then select the
supplier from the drop down menu and click go.

Molecule Data

Contains links to:-

More Names/Synonyms
Keywords
Physical Properties
Details

Calculated Properties

Physical properties calculted using Chemical Computing Groups' Molecular Operating Environment (MOE) 2004.3 include

logP
Rotatable bonds
H-Acceptors
H-Donors

References

Journal articles with links to extended references
Patents with links
Other references

External Links

These links need a subscription as they point to the Vendors web site.
NOTE: For predictions using I-Lab or SpecInfo go to http://cds.dl.ac.uk/

Use ACD/I-Lab for Predictions
Search in MetaXchem
NMR prediction (SpecInfo)
Search in ChemNavigator

I-Lab Calculation Screen

ICONS

There are a set of Icons at the bottom of each molecule hit.

	Produce a larger window showing just the molecule
	Produce a window showing all molecule details PLUS references
	Produces a reaction hit list
	Produces a reaction hit list
	Conducts a Substructure search
	Conducts a Synthesis Tree Search
	Allows you to save the molecule as a mol file