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. 2014 Oct 20;57(22):9598–9611. doi: 10.1021/jm501284e

Table 5. Summary of Calculations of Ligand Efficiency Indicesa.

name fTHP-15 Ki (M) pKi PSA (Ǻ2/100) MW (kDa) BEI SEI
1 3.30 × 10–6 5.5 0.44 0.292 18.8 12.5
2 8.00 × 10–7 6.1 0.45 0.272 22.4 13.5
3 1.50 × 10–6 5.8 0.71 0.316 18.4 8.2
4 6.00 × 10–8 7.2 0.82 0.41 17.6 8.8
5 1.00 × 10–8 8.0 0.78 0.426 18.8 10.3
6 1.19 × 10–3 2.9 0.49 0.075 39.0 6.0
7 (idealized compd) 1.00 × 10–9 9.0 0.5 0.333 27.0 18
a

BEI = binding efficiency index. SEI = surface-binding efficiency index.