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

Table 4.

Global reactivity descriptors for the Discodermin family of marine cyclopeptides: Electronegativity (χ), Hardness (η), Electrophilicity (ω) (all in eV), Softness S (in eV1), Nucleophilicity N, Electrodonating Power (ω), Electroaccepting Power (ω+) and Net Electrophilicity (Δω±) (also in eV).

χ η γ S N ω ω+ Δω±
Discodermin A 3.6339 4.1418 1.5941 0.2414 3.4645 5.2672 1.6511 6.9183
Discodermin B 3.5410 4.3143 1.4531 0.2318 3.4622 4.9652 1.4330 6.3981
Discodermin C 3.5524 4.2590 1.4816 0.2348 3.4865 4.8896 1.3885 6.2781
Discodermin D 3.5858 4.2747 1.5040 0.2339 3.4420 5.0803 1.5073 6.5876
Discodermin E 3.9703 3.7254 2.1157 0.2584 3.2860 6.4321 2.4644 8.8966
Discodermin F 3.5118 4.3812 1.4075 0.2283 3.4789 4.8243 1.3401 6.1644
Discodermin G 3.2971 4.6348 1.1728 0.2158 3.5535 4.2552 0.9830 5.2382
Discodermin H 3.4446 4.6494 1.2760 0.2151 3.4029 4.5677 1.1391 5.7068