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. 2020 Sep 11;25(18):4158. doi: 10.3390/molecules25184158

Table 1.

Predicted parameters useful for QSAR studies for the Discodermins A–H family of marine cyclodepsipeptides: ΔG of Solvation (in Kcal/mol), logP, TPSA (Å2) and Molecular Volume (Å3).

ΔG of Solvation logP TPSA Molecular Volume
Discodermin A −96.29 −5.51 657.09 1537.74
Discodermin B −105.04 −5.37 648.30 1521.64
Discodermin C −93.16 −5.37 648.30 1521.64
Discodermin D −88.03 −5.50 648.30 1505.40
Discodermin E −103.39 −5.71 677.66 1539.28
Discodermin F −112.03 −5.41 650.36 1554.79
Discodermin G −108.39 −5.41 650.36 1554.79
Discodermin H −92.26 −5.59 670.59 1546.00