| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 28 | Yes |
Popular Name: 3-[1-(5-hydroxy-4-oxo-pyran-2-carbonyl)-4-piperidyl]-4-phenyl-1H-1,2,4-triazol-5-one 3-[1-(5-hydroxy-4-oxo-pyran-2-ca…
| 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) | -0.24 | 6.47 | -57.58 | 1 | 9 | -1 | 124 | 381.368 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.24 | 5.6 | -28.65 | 2 | 9 | 0 | 121 | 382.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(4-ketopyran-2-carbonyl)-4-piperidyl]-4-phenyl-1H-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/521173.gif)