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Calculate logP values for molecules without altering their structure. Determine true ionizable atom count and logD at isoelectric point. Identify neutral, acid, base, or zwitterion states.
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logP calculation The “logP micro”. The logP of the submitted molecule is calculated without modification of its structure. The “logP true” ionizable atom count of the input molecule? = 0 Zwitterion Acid or Base Neutral The logP of the neutral molecule is calculated The logD is calculated at the pH=isoelectric point