Searching the Properties
The following is how to check the properties of a target molecule. Firstly, run the MolInstincts Navigator and log-in.
After log-in and running the MolInstincts Navigator, select General Search to import a sample for property search.
Then after selecting Import, select a molecule from samples folder, which is under the folder where the MolInstincts Navigator is installed (MolInstincts Install Path\samples). Once a molecule is imported, the screen displays as below.
After that, press 'Execute' to find corresponding molecule. Then the screen displays as below. Then in order to open the information of that molecule, click the molecule on Search Result window.
Searching Constant Properties
Click the relevant molecule to go to Property View. Initially, the "constant" tab is shown, which contains 35 constant data related to thermo-physico-chemical properties. Then the whole constant properties will be displayed by clicking the "Unfold All" button.
Checking Temperature Dependent Properties
Also, to see Temperature Dependent Properties, click T Dependent tab. After selecting T Dependent tab, the screen is displayed as shown below.
After selecting wanted property, wanted unit, temperature, points or increment, press 'Execute' to calculate. Then the screen is displayed as shown below.
To search a Descriptor for a relevant molecule, select Descriptor tab. Then the screen is displayed as shown below.
Select one of Fields to check a relevant descriptor that matches relevant field.
Checking Quantum Calculation Values
To use the Quantum calculation value for a molecule, select Quantum tab.
Checking Drug Properties
To check Drug Properties of relevant molecule, select Drug tab.