| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 22 | Yes |
Popular Name: 2-[(isobutylamino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(isobutylamino)methyl]-5-phen…
| 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) | 3.25 | 8.04 | -56.71 | 3 | 4 | 1 | 62 | 314.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.98 | -44.09 | 2 | 4 | 0 | 65 | 313.426 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 6.64 | -11.93 | 2 | 4 | 0 | 58 | 313.426 | 5 | ↓ |
