Rational drug design requires expertise in structural biology, medicinal chemistry, physiology, and related fields. In teaching structure-based drug design, it is important to develop an understanding of the need for early recognition of molecules with "drug-like" properties as a key component. That is, it is not merely sufficient to teach students how to design an effective inhibitor for a particular protein; instead, it is important to convey the need for simultaneous consideration of biopharmaceutical properties that will optimize the chances of the inhibitor becoming a drug. These are advanced concepts, but they can be addressed through computer-based methods. Here, an educational approach using a case study is described in which students "design" a potential drug through use of software, most of which is Web-based and freely available. (Contains 2 tables and 3 figures.)