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. Author manuscript; available in PMC: 2014 Jul 1.
Published in final edited form as: Environ Toxicol. 2012 Apr 4;29(4):466–477. doi: 10.1002/tox.21773

TABLE II.

Docking data for selected polycyclic musks

Musk Structure 1YAH Ascore (kcal/mole) PLE Ascore (kcal/mole)
Galaxolide (HHCB) graphic file with name nihms437375t1.jpg −12.32 −12.82
Tonalide (AHTN) graphic file with name nihms437375t2.jpg −12.41 −12.79
Versalide graphic file with name nihms437375t3.jpg −12.76 −13.29
Phantolide graphic file with name nihms437375t4.jpg −12.13 −12.66
Traseolide graphic file with name nihms437375t5.jpg −13.15 −13.33
Crysolide graphic file with name nihms437375t6.jpg −12.91 −13.25
Cashmeran graphic file with name nihms437375t7.jpg −10.67 −12.44