| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole 2-[[(2S,6R)-2,6-dimethylpiperazi…
| 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) | -0.69 | -1.61 | -41.19 | 2 | 5 | 1 | 59 | 225.316 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | -2.97 | -7.57 | 1 | 5 | 0 | 54 | 224.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
