Compound

∆G (Kcal/mol)

pKi (μM)

H acceptor/H donor interaction

1

−13.9579

9.916

4

2

−16.4607

9.595

6

3

−10.0695

7.403

2

4

−11.4296

7.916

4

5

−9.4166

6.930

2

6

−8.9445

8.539

5

7

−9.0453

7.165

2

8

−8.2019

5.280

2

9

−8.4125

4.539

2

10

−14.1850

10.482

5

11

−16.4486

13.351

6

12

−15.0360

9.113

4

13

−156846

11.566

4

14

−15.9491

11.823

8

15

−15.0703

11.718

8

16

−17.1838

11.985

8

17

−16.3661

11.114

5

18

−15.8967

11.149

5

19

−15.7977

10.378

3

20

−17.1553

10.699

7

Antimycin A₃

−11.4295

7.537

5

Respirantin

−11.0109

7.432

5