| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 22 | Yes |
Popular Name: 2-[(isopropylamino)methyl]-5-(o-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[(isopropylamino)methyl]-5-(o-…
| 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) | 3.21 | 7.5 | -51.32 | 3 | 4 | 1 | 62 | 314.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 5.13 | -42.01 | 2 | 4 | 0 | 65 | 313.426 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 6.3 | -10.15 | 2 | 4 | 0 | 58 | 313.426 | 4 | ↓ |
