| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 16 | Yes |
Popular Name: (2S,5S)-2,5-dimethyl-1-[2-(1-piperidyl)ethyl]piperazine (2S,5S)-2,5-dimethyl-1-[2-(1-pip…
| 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) | 1.59 | 5.32 | -86.58 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 3.11 | -35.99 | 2 | 3 | 1 | 23 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.06 | -32.66 | 2 | 3 | 1 | 20 | 226.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
