| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2008 | 25 | Yes |
Popular Name: 2-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-7-methyl-pyrido[2,1-b]pyrimidin-4-one 2-[[(4-isopropylphenyl)methyl-me…
| 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) | 4.41 | 10.48 | -33.99 | 1 | 4 | 1 | 39 | 336.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 12.45 | -44.34 | 1 | 4 | 1 | 39 | 336.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 10.08 | -12.14 | 0 | 4 | 0 | 38 | 335.451 | 5 | ↓ |
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-[(benzylamino)methyl]pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/18421.gif)