| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 34 | No |
| 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) | 3.19 | 13.57 | -46.98 | 1 | 8 | 1 | 79 | 478.577 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 11.19 | -15.76 | 0 | 8 | 0 | 78 | 477.569 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-cyclopropyl-2-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione](http://zinc12.docking.org/img/rings/144144.gif)