| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2011 | 34 | No |
Popular Name: 5,5-bis[2-(4-pyridyl)ethyl]-1-(2,4,6-trimethylphenyl)hexahydropyrimidine-2,4,6-trione 5,5-bis[2-(4-pyridyl)ethyl]-1-(2…
| 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) | 3.72 | 8.78 | -44.51 | 0 | 7 | -1 | 99 | 455.538 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 11.32 | -11.97 | 1 | 7 | 0 | 92 | 456.546 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 11.78 | -43.22 | 2 | 7 | 1 | 94 | 457.554 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 12.24 | -84.46 | 3 | 7 | 2 | 95 | 458.562 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-phenyl-5,5-bis[2-(4-pyridyl)ethyl]pyrimidine-2,4-quinone](http://zinc12.docking.org/img/rings/195283.gif)