| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 26 | Yes |
Popular Name: (2R)-N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]-3-pyridyl]methyl]-1,4-dioxane-2-carboxamide (2R)-N-[[2-[methyl-[2-(2-pyridyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.24 | 7 | -41.38 | 2 | 7 | 1 | 78 | 357.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 6.51 | -12.58 | 1 | 7 | 0 | 77 | 356.426 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 7.36 | -96.52 | 3 | 7 | 2 | 79 | 358.442 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[[2-[2-(2-pyridyl)ethylamino]-3-pyridyl]methyl]-1,4-dioxane-2-carboxamide](http://zinc12.docking.org/img/rings/521516.gif)