| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 19 | Yes |
Popular Name: 2-[[[(1R)-1-(hydroxymethyl)propyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[[[(1R)-1-(hydroxymethyl)propy…
| 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) | 1.24 | 2.75 | -52.06 | 4 | 5 | 1 | 83 | 282.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 1.31 | -14.61 | 3 | 5 | 0 | 78 | 281.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 1.68 | -42.13 | 3 | 5 | 0 | 86 | 281.381 | 5 | ↓ |
