Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives
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DOI: 10.1021/acs.jcim.2c01468
Abstract: As weak acids or bases, in solution, drug molecules are in either their ionized or nonionized states. A high degree of ionization is essential for good water solubility of a drug molecule and is required… read more here.
Keywords: thiazol imine; imine derivatives; pka mecn; quantum mechanical ... See more keywords