| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 17 | Yes |
Popular Name: [(1S,2S)-1-(4-ethylpiperazin-1-yl)-2-methyl-cyclohexyl]methanamine [(1S,2S)-1-(4-ethylpiperazin-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) | 1.63 | 4.06 | -100.67 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 3.76 | -121.52 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 1.75 | -44.12 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
