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Figure 2 | BMC Bioinformatics

Figure 2

From: SuperLigands – a database of ligand structures derived from the Protein Data Bank

Figure 2

Statistics: comparison of PDB ligands with drugs. Chemical properties of 5040 PDB ligands and 2396 drug molecules are compared: histograms for numbers of hydrogen bond donors and acceptors, logP value and molecular weight are shown. Molecular weight within [100,200) means that the molecular weight is greater than or equal to 100 and less than 200. Those areas for which the Lipinski "Rule of 5" is fulfilled, are highlighted in grey.

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