| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 15 | Yes |
Popular Name: 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanenitrile 3-[(4-oxo-6-propyl-1H-pyrimidin-…
| 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) | 1.91 | 5.19 | -16.17 | 1 | 4 | 0 | 70 | 223.301 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 4.28 | -44.48 | 0 | 4 | -1 | 73 | 222.293 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 4.63 | -24.01 | 1 | 4 | 0 | 70 | 223.301 | 5 | ↓ |
