| Compounds | ΔGvdw (kcal/mol) | ΔGele (kcal/mol) | ΔGpolar (kcal/mol) | ΔGnonpolar (kcal/mol) | ΔGbinding (kcal/mol) |
| Roniciclib | −38.09 | −11.58 | 36.87 | −30.21 | −43.00 |
| NCI207113 | −42.56 | −17.04 | 45.04 | −35.48 | −49.98 |
| TCM0004 | −42.36 | −4.55 | 30.99 | −35.10 | −51.02 |
| TCM3282 | −48.31 | −47.80 | 83.03 | −49.09 | −62.18 |