| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 16 | Yes |
Popular Name: [(1S,2S)-2-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine [(1S,2S)-2-methyl-1-(4-methylpip…
| 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) | 1.25 | 3.38 | -100.51 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 0.92 | -44.39 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 2.95 | -120.7 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
