| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (2S)-2-[[(2R)-2-methylazepan-1-yl]methyl]cyclohexanone (2S)-2-[[(2R)-2-methylazepan-1-y…
| 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) | 3.04 | 8.66 | -32.91 | 1 | 2 | 1 | 22 | 224.368 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 6.83 | -3.84 | 0 | 2 | 0 | 20 | 223.36 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
