| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 25 | Yes |
Popular Name: 6-[(3S)-4-(2-furylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione 6-[(3S)-4-(2-furylmethyl)-3-(2-h…
| 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) | -0.37 | -2.71 | -35.87 | 2 | 9 | -1 | 126 | 347.351 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.83 | -2.08 | -12.71 | 3 | 9 | 0 | 123 | 348.359 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.37 | -0.52 | -46.38 | 3 | 9 | 0 | 127 | 348.359 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.83 | 0.1 | -52.13 | 4 | 9 | 1 | 124 | 349.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[4-(2-furfuryl)piperazine-1-carbonyl]-1H-pyrimidin-6-one](http://zinc12.docking.org/img/rings/398841.gif)