| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 21 | Yes |
Popular Name: 2-[(isopentylamino)methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one 2-[(isopentylamino)methyl]-5,6,7…
| 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) | 3.24 | 7.66 | -56.45 | 3 | 4 | 1 | 62 | 306.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.22 | -10.94 | 2 | 4 | 0 | 58 | 305.447 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 6.63 | -44.79 | 2 | 4 | 0 | 65 | 305.447 | 5 | ↓ |
