| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (2S,3S)-1-(2-methoxyethyl)-2-(3-pyridyl)azepan-3-amine (2S,3S)-1-(2-methoxyethyl)-2-(3-…
| 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) | 0.44 | 1.82 | -39.04 | 3 | 4 | 1 | 53 | 250.366 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 1.45 | -4.29 | 2 | 4 | 0 | 51 | 249.358 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.44 | 2.27 | -100.36 | 4 | 4 | 2 | 54 | 251.374 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.44 | 3.55 | -30.8 | 3 | 4 | 1 | 53 | 250.366 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
