As we have attempted to emphasize and demonstrate, NMR has a powerful and unique role in drug design. NMR provides detailed structural information about a molecule along with kinetic information over extended time periods, i.e., not just a snapshot [24,25]. Moreover, NMR is quantitative and highly reproducible, allowing applications in diverse fields such as relaxometry, combinatorial chemistry, fluxomics, and targeted analysis [91]. NMR can be combined with other analytical techniques, such as mass spectrometry “in tandem” analysis of the molecules of interest [436,437,438]. 1H 1D-NMR is used particularly in the analysis of metabolites, while the strength and intensity of the recorded signals is directly proportional to the concentration of the sample [44,439,440]. 1H 1D-NMR can also be used to follow “real-time” analysis of different molecules [441]. In the 1D 1H-NMR experiment, there are no polarization transfer techniques required (the 1H atom is already highly sensitive) and covers a spread of interesting nuclei in the molecule(s) being studied [91].