====== ChemAxon property calculators ======


Eighteen ChemAxon property calculators have been implemented in mcule. Unlike [[propertieschemaxon|ChemAxon properties]] listed in the [[advancedpropertyfilter|Advanced property filter]] (which have been calculated by default parameters), these calculators can be used for on the fly generation of properties with custom settings and parameters.
===== When to use =====


If properties generated by default parameters are not adequate for a particular problem, it is recommended to use the property calculators with adjustable settings. For example, charges might need to be calculated at a specific pH when targeting enzymes working at pH other than 7.4.

===== How to use =====

Properties calculated with default parameters are available in the ChemAxon property filter. Please use the calculators only when you need to recalculate the properties with special settings.

===== List of ChemAxon property calculators =====

**[[chemaxoncalclogp|ChemAxon logP calculator]]**

**[[chemaxoncalclogd|ChemAxon logD calculator]]**

**[[chemaxoncalcpka|ChemAxon pKa calculator]]**

**[[chemaxoncalcavecharge|ChemAxon Average charge calculator]]**

**[[chemaxoncalcatoms|ChemAxon Atoms calculator]]**

**[[chemaxoncalcpolarizability|ChemAxon Molecular polarizability calculator]]**

**[[chemaxoncalcrings|ChemAxon Rings calculator]]**

**[[chemaxoncalcasa|ChemAxon ASA calculator]]**

**[[chemaxoncalcvdwsa|ChemAxon VdWSA calculator]]**

**[[chemaxoncalcpsa|ChemAxon PSA calculator]]**

**[[chemaxoncalcringsystems|ChemAxon Ring systems calculator]]**

**[[chemaxoncalctau|ChemAxon Tautomers calculator]]**

**[[chemaxoncalcacc|ChemAxon H-bond acceptors calculator]]**

**[[chemaxoncalcaccsites|ChemAxon H-bond acceptor sites calculator]]**

**[[chemaxoncalcdon|ChemAxon H-bond donors calculator]]**

**[[chemaxoncalcdonsites|ChemAxon H-bond donor sites calculator]]**

**[[chemaxoncalchmopi|ChemAxon HMO Pi energy calculator]]**

**[[chemaxoncalcresonants|ChemAxon Resonants calculator]]**

===== Access =====

ChemAxon property calculators can be accessed by [[subscriptionpackages|subscribing]] to the ChemAxon Property package (Access and Calculator package option).

===== Results =====

  * Molecules satisfying search criteria
  * Calculated properties will be displayed in List and Table views
  * Any other properties can be displayed in Table view by clicking on the “Change table display options” link