| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 21 | Yes |
Popular Name: 2-[[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(2S)-2-[2-(methylamino)ethyl…
None
| 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) | 1.60 | 5.1 | -50.4 | 3 | 5 | 1 | 66 | 307.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.64 | -122.16 | 4 | 5 | 2 | 67 | 308.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 3.84 | -96.21 | 3 | 5 | 1 | 70 | 307.443 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/4166.gif)
![2-(piperidinomethyl)-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/110662.gif)