| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 20 | No |
Popular Name: 2-(cyclohexylsulfanylmethyl)-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-(cyclohexylsulfanylmethyl)-9-m…
| 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) | 4.09 | 10.46 | -12.2 | 0 | 3 | 0 | 34 | 288.416 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.09 | 10.8 | -30.93 | 1 | 3 | 1 | 36 | 289.424 | 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-[(cyclohexylthio)methyl]pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/213672.gif)