| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 22 | Yes |
Popular Name: 2-[(2-cyclohexen-1-ylethylamino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(2-cyclohexen-1-ylethylamino)…
| 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) | 3.39 | 8.49 | -59.15 | 3 | 4 | 1 | 62 | 318.466 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.06 | -11.56 | 2 | 4 | 0 | 58 | 317.458 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 7.44 | -46.49 | 2 | 4 | 0 | 65 | 317.458 | 5 | ↓ |
