| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: 1-[(2R,3S)-1-ethyl-2-(2-pyridyl)azepan-3-yl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(2-pyridyl)…
| 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) | 2.19 | 5.54 | -34.21 | 2 | 3 | 1 | 33 | 248.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.4 | -88.9 | 3 | 3 | 2 | 34 | 249.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 5.99 | -95.4 | 3 | 3 | 2 | 34 | 249.402 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
