Biocoagulants and bioflocculants are alternative items that can be used to substitute the utilization of common-chemical coagulants and flocculants. Biocoagulants/bioflocculants can be extracted from animals, microorganisms, and plants. Moreover, biocoagulants/bioflocculants have specific characteristics that contribute to the coagulation and flocculation processes. The active compounds inside biocoagulants/bioflocculants vary and correspond to the specific working mechanisms, including charge neutralization, sweep coagulation, adsorption, bridging, and patch flocculation. This review paper summarizes the characteristics of biocoagulants/bioflocculants from different sources and its performance in treating various pollutants. Furthermore, this paper discusses the most contributing compounds and functional groups of biocoagulants/bioflocculants that can be related to their working mechanisms. Several functional groups and compounds in biocoagulants/bioflocculants are highlighted in this review article, as well as the correlation between the highlighted groups/compounds to the aforementioned coagulation-flocculation mechanisms. In addition, current knowledge gaps in the study of biocoagulants/bioflocculants and future approaches that may serve as research directions are also emphasized. This review article is expected to shed information on the characteristics of biocoagulants/bioflocculants, which may then become a focus in the optimization to obtain higher performance in future application of coagulation-flocculation processes.