Table : Partition (P ) and Permeability (P m e ) coefficient for sorgoleone in sorghum membrane. The partitioning is based on difference in free energy for sorgoleone and its precursors in membrane and water (Eq ). Permeability is decomposed into crossing permeability (P m c ), calculated via a distance REUS calculation and extraction permeability (P m ex ), calculated via a contacts-based REUS sampling approach. These permeabilities are calculated as discussed in methods by equation 4. The effective permeability coefficient (P m e ) is calculated as log [P m e ] = log P + log 10