| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: [(2R,3S)-1-methyl-2-(4-pyridyl)azepan-3-yl]methanamine [(2R,3S)-1-methyl-2-(4-pyridyl)a…
| 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) | 0.72 | 2.41 | -44.03 | 3 | 3 | 1 | 44 | 220.34 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 4.49 | -107.32 | 4 | 3 | 2 | 45 | 221.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
