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cLogD [message #955] Tue, 16 June 2020 15:46 Go to next message
thurow.sam@gmail.com is currently offline  thurow.sam@gmail.com
Messages: 1
Registered: June 2020
Location: Brazil
Junior Member
Hi everybody!

the option that calculate logD is unclickcable, is there a way to activate that button?

thanks

Sam
Re: cLogD [message #956 is a reply to message #955] Tue, 16 June 2020 22:15 Go to previous message
thomas is currently offline  thomas
Messages: 360
Registered: June 2014
Senior Member
cLogD requires a pKa prediction, which DataWarrior cannot do itself yet. However, DataWarrior may use the commercial ChemAxon pKa-plugin to do the prediction. If the DataWarrior installation folder contains a capka.jar file, which contains the needed ChemAxon software, then cLogD and pKa prediction are enabled.
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