Catalyst General hERG pharmacophore three-dimensional coordinates and interfeature distances
| Hydrophobe | Hydrophobe | Hydrophobe | Hydrophobe | Positive Ionizable | |
|---|---|---|---|---|---|
| Weight | 1.78 | 1.78 | 1.78 | 1.78 | 1.78 |
| Tolerance | 1.6 | 1.6 | 1.6 | 1.6 | 1.6 |
| X | 8.05 | 9.63 | 10.28 | 8.13 | 14.37 |
| Y | −4.18 | −0.64 | −0.38 | −2.30 | −1.70 |
| Z | −0.40 | −3.59 | 3.20 | 4.33 | 0.28 |
| Hydrophobe | |||||
| Hydrophobe | 5.0 Å | ||||
| Hydrophobe | 5.7 Å | 6.8 Å | |||
| Hydrophobe | 5.1 Å | 8.2 Å | 3.1 Å | ||
| Positive ionizable | 6.8 Å | 6.2 Å | 5.2 Å | 7.5 Å |