| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2008 | 35 | Yes |
Popular Name: 2-[[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)methoxy]pyran-4-one 2-[[4-(2-ethoxybenzoyl)piperazin…
| 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) | 3.27 | 11.33 | -23.69 | 0 | 7 | 0 | 72 | 494.613 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 13.61 | -69.04 | 1 | 7 | 1 | 73 | 495.621 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-benzoxy-2-[(4-benzoylpiperazino)methyl]pyran-4-one](http://zinc12.docking.org/img/rings/96774.gif)