| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 21 | No |
Popular Name: 2-[(5-bromo-2-thienyl)methylsulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[(5-bromo-2-thienyl)methylsulf…
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| 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) | 4.05 | 10.51 | -13.58 | 0 | 3 | 0 | 34 | 381.32 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 10.92 | -37.15 | 1 | 3 | 1 | 36 | 382.328 | 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-[(2-thenylthio)methyl]pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/521865.gif)