| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 20 | Yes |
Popular Name: 2-[(3-pyrrolidin-1-ylpropylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[(3-pyrrolidin-1-ylpropylamino…
| 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) | 1.11 | 4.84 | -45.08 | 3 | 5 | 1 | 62 | 293.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 1.11 | -50.16 | 2 | 5 | 0 | 69 | 292.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 6.19 | -123.57 | 4 | 5 | 2 | 67 | 294.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 3.56 | -99.23 | 3 | 5 | 1 | 70 | 293.416 | 6 | ↓ |
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-[(3-pyrrolidinopropylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/190445.gif)