| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 21 | Yes |
Popular Name: 2-[[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[(1S,2R,4R)-2,4-dimethylcycl…
| 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) | 3.00 | 8.57 | -36.11 | 2 | 4 | 1 | 48 | 286.399 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 8.13 | -11.52 | 1 | 4 | 0 | 46 | 285.391 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 8.97 | -42.49 | 2 | 4 | 1 | 51 | 286.399 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1379.gif)
![2-[(cyclohexylamino)methyl]pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/448505.gif)