| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2011 | 21 | No |
Popular Name: 5-[(1S)-1-methylpropyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(1S)-1-methylpropyl]-5-[2-(4-…
| 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) | 1.64 | 2.48 | -7.56 | 2 | 6 | 0 | 88 | 289.335 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | -0.02 | -36.69 | 1 | 6 | -1 | 94 | 288.327 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | -0.09 | -37.41 | 1 | 6 | -1 | 94 | 288.327 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 2.94 | -37.52 | 3 | 6 | 1 | 89 | 290.343 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-[2-(4-pyridyl)ethyl]barbituric Acid](http://zinc12.docking.org/img/rings/195281.gif)