| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 28th, 2010 | 26 | Yes |
Popular Name: 7-[[2-(azepan-1-yl)anilino]methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one 7-[[2-(azepan-1-yl)anilino]methy…
| 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) | 3.97 | 11.11 | -88.65 | 3 | 5 | 2 | 52 | 370.522 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 10.87 | -8.84 | 1 | 5 | 0 | 50 | 368.506 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 10.71 | -33.67 | 2 | 5 | 1 | 51 | 369.514 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Thiazolo[3,2-a]pyrimidin-5-one](http://zinc12.docking.org/img/rings/1513.gif)
![7-[[2-(azepan-1-yl)anilino]methyl]thiazolo[3,2-a]pyrimidin-5-one](http://zinc12.docking.org/img/rings/443517.gif)