| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 22 | Yes |
Popular Name: 2-[(3S)-3-(azepan-1-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(3S)-3-(azepan-1-yl)-1-piperi…
| 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) | 2.71 | 5.62 | -37.56 | 2 | 4 | 1 | 37 | 322.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 3.39 | -5.44 | 1 | 4 | 0 | 36 | 321.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
