| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 24 | Yes |
Popular Name: 2-[[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[(2R)-2-methyl-3,4-dihydro-2H…
| 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) | 3.67 | 11.91 | -39.35 | 1 | 4 | 1 | 39 | 338.456 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 11.48 | -13.43 | 0 | 4 | 0 | 38 | 337.448 | 2 | ↓ |
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-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/403876.gif)