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Free PhysChem Properties pKa, logD

http://www.chromforum.org/viewtopic.php?f=114&t=114984

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Free PhysChem Properties pKa, logD

Posted: Wed Dec 08, 2021 1:58 pm
by kata
Dear,
I wonder if you could help me where I can get the properties of compounds like logD (plot) and ionisation state (pH /plot)?
I used to get this from ACD/I-lab but I have no credits.
Please help if if something is available free, thank you

Re: Free PhysChem Properties pKa, logD

Posted: Wed Dec 08, 2021 4:56 pm
by bunnahabhain
Maybe give OPERA a try:
https://github.com/NIEHS/OPERA
It requires some learning to use it, and it won't produce such a nice charge vs. pH plot as i-lab does (at least not the older version I tried out), but it is helpful anyway.
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