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