| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | Yes |
Popular Name: 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-5-hydroxy-pyran-4-one 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) | -0.47 | 0.48 | -54.58 | 3 | 5 | 1 | 70 | 239.295 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.47 | 0.01 | -54.82 | 1 | 5 | -1 | 69 | 237.279 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 1.34 | -74.34 | 2 | 5 | 0 | 73 | 238.287 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
