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Ns Using our open plugin format custom chemical calculations can be plugged into the Marvin environment. Current calculations: , Elemental Analysis , IUPAC Naming Cleaning and conformer generation from SMILES in MarvinSketch 3D geometry and conformer generation - with energies IUPAC Name generation in MarvinSketch , Protonation: , Calculation of conformers and energy values pKa, Isoelectric Point, Major Microspecies Partitioning: logP, logD Calculated logD results over the pH range for 3.

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