| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 21 | No |
Popular Name: (5E)-3-allyl-5-[(3,4-dihydroxyphenyl)methylene]-6-hydroxy-pyrimidine-2,4-dione (5E)-3-allyl-5-[(3,4-dihydroxyph…
| 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) | 0.49 | -1.38 | -42.25 | 2 | 7 | -1 | 115 | 287.251 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | -1.23 | -101.48 | 1 | 7 | -2 | 118 | 286.243 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | -1.33 | -99.13 | 1 | 7 | -2 | 118 | 286.243 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 0.39 | -12.48 | 3 | 7 | 0 | 112 | 288.259 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | -2.25 | -45.25 | 2 | 7 | -1 | 115 | 287.251 | 3 | ↓ |
