| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 17 | Yes |
Popular Name: 2-[(isopropylamino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(isopropylamino)methyl]-5,6-d…
| 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) | 1.68 | 5.06 | -52.57 | 3 | 4 | 1 | 62 | 252.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 3.75 | -11.48 | 2 | 4 | 0 | 58 | 251.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 4.01 | -43.05 | 2 | 4 | 0 | 65 | 251.355 | 3 | ↓ |
