COc1ccc(CNC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1
An acid's negative base-10 logarithmic dissociation constant (pka) follows directly from its underlying thermodynamics; pKa is directly proportional to its standard Gibbs free energy change. What is the pka value of this molecule?