| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2008 | 21 | No |
Popular Name: 6-hydroxy-5-[(Z)-(2-oxo-1-naphthylidene)methyl]-2-thioxo-1H-pyrimidin-4-one 6-hydroxy-5-[(Z)-(2-oxo-1-naphth…
| 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) | 2.19 | 3.39 | -40.37 | 2 | 5 | -1 | 89 | 297.315 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 4.14 | -108.68 | 1 | 5 | -2 | 92 | 296.307 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.19 | 3.22 | -104.71 | 1 | 5 | -2 | 92 | 296.307 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 4.46 | -12.17 | 3 | 5 | 0 | 86 | 298.323 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 3.38 | -39.47 | 2 | 5 | -1 | 89 | 297.315 | 1 | ↓ |
