| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 14 | Yes |
Popular Name: 4-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]isoxazole 4-[[(2S,6S)-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) | 0.11 | 1.63 | -42.49 | 2 | 4 | 1 | 46 | 196.274 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 0.45 | -5.24 | 1 | 4 | 0 | 41 | 195.266 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
