| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(2-pyridyl)azepan-3-yl]methanamine N-methyl-1-[(2S,3S)-1-methyl-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) | 1.82 | 5.19 | -33.02 | 2 | 3 | 1 | 33 | 234.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 7.33 | -90.95 | 3 | 3 | 2 | 34 | 235.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 5.43 | -94.41 | 3 | 3 | 2 | 34 | 235.375 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
