| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 16 | Yes |
Popular Name: 1-[4-[(3R,6R)-6-methyl-3-piperidyl]piperazin-1-yl]ethanone 1-[4-[(3R,6R)-6-methyl-3-piperid…
| 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) | 0.10 | 2.59 | -46.32 | 2 | 4 | 1 | 40 | 226.344 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 1.3 | -7.87 | 1 | 4 | 0 | 36 | 225.336 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 3.47 | -41.91 | 2 | 4 | 1 | 37 | 226.344 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 4.78 | -121.16 | 3 | 4 | 2 | 41 | 227.352 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
