Table 4 Physicochemical properties of synthetic derivatives of genistein assessed in silico
From: Synthetic genistein derivatives as modulators of glycosaminoglycan storage
Compound | MW | cLogP | tPSA | HBA | HBD | LogBB |
|---|---|---|---|---|---|---|
Genistein | 270.24 | 2.27 | 89.82 | 5 | 3 | −0.86 |
IFG-001 | 389.37 | 4.23 | 121.91 | 7 | 4 | −1.12 |
IFG-018 | 508.65 | 8.64 | 93.06 | 6 | 2 | 0.08 |
IFG-021 | 770.69 | 3.23 | 235.18 | 18 | 2 | −2.97 |
IFG-027 | 310.30 | 3.45 | 75.99 | 5 | 2 | −0.46 |
IFG-032 | 396.35 | 2.10 | 105.20 | 8 | 0 | −1.10 |
IFG-034 | 432.39 | 4.20 | 119.36 | 8 | 2 | −0.98 |
IFG-035 | 390.43 | 5.55 | 53.99 | 5 | 0 | 0.19 |
IFG-036 | 356.33 | 3.04 | 102.29 | 7 | 2 | −0.91 |
IFG-037 | 384.38 | 3.85 | 102.29 | 7 | 2 | −0.79 |
IFG-038 | 625.10 | 4.11 | 133.19 | 8 | 3 | −1.20 |
IFG-042 | 498.52 | 5.44 | 117.59 | 9 | 1 | −0.77 |
IFG-043 | 360.36 | 4.40 | 75.99 | 5 | 2 | −0.31 |
IFG-046 | 556.14 | 3.74 | 146.20 | 10 | 2 | −1.45 |
IFG-048 | 384.38 | 3.85 | 105.12 | 7 | 2 | −0.83 |
IFG-050 | 326.30 | 2.64 | 88.52 | 6 | 2 | −0.77 |
IFG-051 | 400.42 | 5.58 | 64.99 | 5 | 1 | 0.03 |
IFG-052 | 472.44 | 5.38 | 108.36 | 8 | 1 | −0.64 |
IFG-053 | 584.66 | 8.28 | 112.57 | 7 | 1 | −0.26 |
IFG-054 | 328.27 | 2.05 | 116.12 | 7 | 3 | −1.27 |
IFG-060 | 474.47 | 4.51 | 122.19 | 8 | 2 | −0.98 |
IFG-061 | 496.44 | 3.37 | 108.36 | 7 | 1 | −0.95 |
IFG-062 | 390.39 | 4.46 | 85.22 | 6 | 2 | −0.44 |
IFG-063 | 354.31 | 3.30 | 102.29 | 7 | 2 | −0.87 |
IFG-064 | 402.44 | 5.67 | 64.99 | 5 | 1 | 0.04 |
IFG-065 | 444.52 | 6.69 | 53.99 | 5 | 0 | 0.36 |
IFG-066 | 312.32 | 3.54 | 78.82 | 5 | 2 | −0.49 |
IFG-067 | 402.40 | 4.43 | 82.06 | 6 | 1 | −0.40 |
IFG-070 | 342.16 | 2.67 | 102.29 | 7 | 2 | −0.97 |
IFG-071 | 398.40 | 3.92 | 102.29 | 7 | 2 | −0.78 |
IFG-072 | 328.31 | 2.44 | 96.22 | 6 | 3 | −0.91 |
IFG-073 | 314.22 | 2.17 | 96.22 | 6 | 3 | −0.95 |
IFG-074 | 569.73 | 4.17 | 116.12 | 7 | 3 | −0.94 |