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Solubility in H2O and DMSO
Quantum software predicts both aqueous and Dimethyl Sulfoxide (DMSO) solubility of organic compounds at various temperatures and pH values (from 0.0 to 14.0). The accuracy of solubility calculations for most structures is usually better than 0.2-0.5 logS units; for more complicated molecules the error can be up to 0.5-1.0 logS units. Such parameters as the solvent temperature, pH and ion strength are adjustable. The results of the calculations are represented both in logarithmic (LogS) and absolute (g/l) units. The main advantage of Quantum solubility prediction tool is the quality of underlaying physical models. Quantum derives molecular properties from first principle based models using advanced quantum mechanical analysis of molecular interactions and thermodynamics.
Quantum Solubility prediction software overview brochure
The performance of the Quantum solubility calculation software can be evaluated with the following online tool:
