| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 19 | Yes |
Popular Name: 2-[[4-(dimethylamino)butylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-(dimethylamino)butylamino]…
| 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) | 1.44 | 3.17 | -93.25 | 3 | 5 | 1 | 70 | 281.405 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 1.83 | -67.8 | 2 | 5 | 0 | 65 | 280.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 3.89 | -52.72 | 3 | 5 | 1 | 62 | 281.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 5.81 | -113.39 | 4 | 5 | 2 | 67 | 282.413 | 7 | ↓ |
