logBB in InstantJChem

Hi,

I can calculate logBB using Marvin (under ADME calculations), but I can't seem to do this in InstantJChem as a new chemical term. I was also not able to google up any help on the subject, or find this calculation in the Marvin help.

 

Please let me know if this calculation is possible in InstantJChem, and how to write it!

Thanks,
Anna

Hi Anna, 

The logBB calculation is unfortunately not a supported calculation in the recent Marvin versions. Probably you use a version which still contains that functionality, but you should know that it isn't part of our calculation portfolio anymore. 

Also, it was never available as a Chemical Terms function, and therefore it was never available in Instant JChem.

Sorry for the inconvenience. We suggest you use your current or older version of Marvin for your logBB calculations. 

Daniel