| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 20 | Yes |
Popular Name: (3R)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(3R)-3-[(3,5-dimethyl-1,…
| 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) | -0.73 | 7.8 | -52.06 | 1 | 6 | 1 | 61 | 279.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.73 | 5.47 | -12.71 | 0 | 6 | 0 | 60 | 278.356 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.73 | 8.23 | -96.95 | 2 | 6 | 2 | 63 | 280.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[3-(1,2,4-triazol-1-ylmethyl)piperidino]tetrahydrofuran-2-one](http://zinc12.docking.org/img/rings/476883.gif)