Knowledge Base

In the QikProp descriptors, what is the difference between QPLogS and CIQPLogS?

These are aqueous solubility predictions. The CI in CIQPLogS stands for "Conformation Independent". The CIQPlogS value has a different regression equation from QPlogS. If the CIQPlogS value is significantly different than QPlogS, it is likely that the the logS prediction for that compound shows conformational dependence.

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