| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 19 | Yes |
Popular Name: 4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile 4-[(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) | 3.18 | 7.22 | -12.19 | 1 | 4 | 0 | 70 | 271.345 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 6.36 | -40.23 | 0 | 4 | -1 | 73 | 270.337 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 6.72 | -20.29 | 1 | 4 | 0 | 70 | 271.345 | 4 | ↓ |
