| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 24 | Yes |
Popular Name: 2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[4-methyl-3-(trifluoromethyl)…
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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) | 3.82 | 8.41 | -13.19 | 1 | 4 | 0 | 46 | 333.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 8.81 | -40.81 | 2 | 4 | 1 | 48 | 334.321 | 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-(anilinomethyl)pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/29575.gif)