| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2010 | 20 | Yes |
Popular Name: 2-[(1S)-1-[isobutyl(methyl)amino]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(1S)-1-[isobutyl(methyl)amino…
| 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) | 2.93 | 8.12 | -44.78 | 2 | 4 | 1 | 50 | 294.444 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 5.68 | -40.32 | 1 | 4 | 0 | 53 | 293.436 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 6.22 | -9.32 | 1 | 4 | 0 | 49 | 293.436 | 4 | ↓ |
