| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 21 | Yes |
Popular Name: 1-(azocan-1-yl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanone 1-(azocan-1-yl)-2-[4-(2,2-difluo…
| 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) | 2.07 | 5.12 | -10.24 | 0 | 4 | 0 | 27 | 303.397 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 7.25 | -36.9 | 1 | 4 | 1 | 28 | 304.405 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 7.32 | -38.83 | 1 | 4 | 1 | 28 | 304.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
