ACD/LogD

List of Features

ACD/LogD enables you to:

• Calculate logD at any pH
• Calculate logD with or without taking ion-pair partitioning into account
• Present results in both table and graph forms
• Determine the dominant ionic form of the chemical structure in the water-octanol mixture
• View the solution proportion of each ionic form as a function of pH
• Calculate the percentage of the dominant form in aqueous and organic phases.
• Calculate the bioconcentration factor (BCF) at any pH
• Calculate the adsorption coefficient (K_OC) at any pH
• Use custom logP/logD and/or pK_a database(s) for system training
• Use ACD/PhysChem Accuracy Extender (logP module) for algorithm training (this package generates new structure increments that do not exist in the standard algorithm)
• Use ACD/pK_a Accuracy Extender for algorithm training (this package allows users to create a database containing their own Hammett/Taft equations to improve the accuracy of pK_a calculation for specific chemical classes)
• For small libraries and other data sets with fewer than 999 structures, import and process SDfiles using the standalone desktop ACD/LogD Suite and ACD/LogD Sol Suite package
• For ACD/LogD Suite and ACD/LogD Sol Suite customers, it is now possible to calculate all properties for a compound at once, view them on a unified screen (History Window), and export them to an SDfile