| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 20 | Yes |
Popular Name: 2-[[methyl(3-thienylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[methyl(3-thienylmethyl)amino…
| 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) | 2.08 | 6.82 | -35.61 | 1 | 4 | 1 | 39 | 286.38 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 6.42 | -13.05 | 0 | 4 | 0 | 38 | 285.372 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 8.79 | -44.84 | 1 | 4 | 1 | 39 | 286.38 | 4 | ↓ |
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-[(3-thenylamino)methyl]pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/159102.gif)