| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 28 | Yes |
Popular Name: 2-[[[(1R)-indan-1-yl]-prop-2-ynyl-amino]methyl]-3H-benzofuro[3,2-d]pyrimidin-4-one 2-[[[(1R)-indan-1-yl]-prop-2-yny…
| 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) | 3.32 | 9.19 | -16.21 | 1 | 5 | 0 | 62 | 369.424 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 6.48 | -59.57 | 0 | 5 | -1 | 65 | 368.416 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 8.85 | -55.19 | 1 | 5 | 0 | 66 | 369.424 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 11.71 | -50.63 | 2 | 5 | 1 | 63 | 370.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3H-benzofuro[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/2014.gif)
![2-[(indan-1-ylamino)methyl]-3H-benzofuro[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/27760.gif)