Figure_6.tif (1.47 MB)

Std* coeff contour maps of CoMSIA in combination with compound 12.

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posted on 2014-04-10, 04:38 authored by Junxia Zheng, Hao Kong, James M. Wilson, Jialiang Guo, Yiqun Chang, Mengjia Yang, Gaokeng Xiao, Pinghua Sun

(a) Steric contour map. Green and yellow contours refer to sterically favored and unfavored regions. (b) Electrostatic contour map. Blue and red contours refer to regions where electron-donating and electron withdrawing groups are favored. (c) Hydrophobic contour map. White and yellow contours represent regions where hydrophilic and hydrophobic substituent are favored. (d) Hydrogen bond donor contour map. The cyan and purple contours indicate favorable and unfavorable hydrogen bond donor groups. (e) Hydrogen bond acceptor contour map. The magenta and red contours demonstrated favorable and unfavorable hydrogen bond acceptor groups.