| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 15 | Yes |
Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-isoxazol-3-yl-methanone [(2S,6R)-2,6-dimethylpiperazin-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) | 0.06 | 2.26 | -50.12 | 2 | 5 | 1 | 63 | 210.257 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 0.97 | -8.67 | 1 | 5 | 0 | 58 | 209.249 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
