| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: (1S,2S)-2-[[(2S)-2-methylazepan-1-yl]methyl]cyclohexanamine (1S,2S)-2-[[(2S)-2-methylazepan-…
| 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) | 2.73 | 7.09 | -109.6 | 4 | 2 | 2 | 32 | 226.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 6.89 | -35.19 | 3 | 2 | 1 | 31 | 225.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 6.77 | -30.45 | 3 | 2 | 1 | 30 | 225.4 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
