| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | Yes |
Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-3-isopropyl-1,2,4-oxadiazole 5-[[(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) | 0.84 | 1.14 | -40.6 | 2 | 5 | 1 | 59 | 239.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | -0.19 | -6.49 | 1 | 5 | 0 | 54 | 238.335 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
