| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 19 | Yes |
Popular Name: 2-[[[(2S)-2-hydroxypropyl]-methyl-amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[[(2S)-2-hydroxypropyl]-methy…
| 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) | 0.98 | 4.14 | -48.42 | 3 | 5 | 1 | 70 | 282.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 1.76 | -12.23 | 2 | 5 | 0 | 69 | 281.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 1.62 | -43.17 | 2 | 5 | 0 | 74 | 281.381 | 4 | ↓ |
