| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: N-methyl-1-[(2R,3S)-1-propyl-2-(2-pyridyl)azepan-3-yl]methanamine N-methyl-1-[(2R,3S)-1-propyl-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) | 2.70 | 6.29 | -34.19 | 2 | 3 | 1 | 33 | 262.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 8.12 | -90.16 | 3 | 3 | 2 | 34 | 263.429 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 6.74 | -96.06 | 3 | 3 | 2 | 34 | 263.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
