Chemical structures of unfractionated heparin (UFH), low-molecular-weight heparin (LMWH), very-low-molecular-weight heparin (VLMWH), and synthetic heparin pentasaccharide used as anticoagulants. Based on the main sequence of heparin, the molecular structure of heparin was specified through computer simulation to consider the molecular interaction with heparin related proteins. The molecules were generated from the solution structures of heparin obtained using an X-ray scattering model (protein data bank; PDB, 3IRL) [38]. The molecular structures of heparin were further modified using the ChemDraw 20.1 Professional (PerkinElmer) program based on their synthetic processes and average molecular sizes. The modified molecules were visualized using the Discovery Studio 2021 (BIOVIA) software.