| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: 1-[(3S,6R)-6-methyl-3-piperidyl]-4-(2,2,2-trifluoroethyl)piperazine 1-[(3S,6R)-6-methyl-3-piperidyl]…
| 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) | 1.66 | 2.03 | -38.22 | 2 | 3 | 1 | 23 | 266.331 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 0.79 | -2.85 | 1 | 3 | 0 | 19 | 265.323 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 4.46 | -110.19 | 3 | 3 | 2 | 24 | 267.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 3.19 | -36.59 | 2 | 3 | 1 | 20 | 266.331 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
