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. 2012 Feb 6;3(4):273–277. doi: 10.1021/ml200256d

Figure 3.

Figure 3

Alignment of 6α-ethyl-avicholic acid (6, panel a) and 6α-ethyl-16-epi-avicholic acid (7, panel b) according to the 3D QSAR scheme. The hydroxyl group of C16 nicely fits the polar region of interaction when located on the equatorial position (β) of the steroidal nucleus rather than the axial (α) position.