| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 34 | Yes |
Popular Name: 5-[(4-methylsulfanylphenyl)methoxy]-2-[[4-(m-tolylsulfonyl)piperazin-1-yl]methyl]pyran-4-one 5-[(4-methylsulfanylphenyl)metho…
| 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) | 3.11 | 9.46 | -22.68 | 0 | 7 | 0 | 80 | 500.642 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 11.75 | -70.68 | 1 | 7 | 1 | 81 | 501.65 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-benzoxy-2-[(4-besylpiperazino)methyl]pyran-4-one](http://zinc12.docking.org/img/rings/99468.gif)