| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 25 | No |
Popular Name: (5Z)-3-benzyl-5-[(3,4-dihydroxyphenyl)methylene]-6-hydroxy-pyrimidine-2,4-dione (5Z)-3-benzyl-5-[(3,4-dihydroxyp…
| 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) | 1.44 | 0.06 | -46.09 | 2 | 7 | -1 | 115 | 337.311 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 0.98 | -94.48 | 1 | 7 | -2 | 118 | 336.303 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 1.14 | -94.12 | 1 | 7 | -2 | 118 | 336.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 2.81 | -12.6 | 3 | 7 | 0 | 112 | 338.319 | 3 | ↓ |
