| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (2R,3R)-1-(2-methoxyethyl)-2-(2-pyridyl)azepan-3-amine (2R,3R)-1-(2-methoxyethyl)-2-(2-…
| 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) | 0.51 | 2.51 | -33.37 | 3 | 4 | 1 | 53 | 250.366 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 1.87 | -5.53 | 2 | 4 | 0 | 51 | 249.358 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.51 | 2.4 | -105.27 | 4 | 4 | 2 | 54 | 251.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
