| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 15 | Yes |
Popular Name: [(1S,2S)-2-(4-methylpiperazin-1-yl)cyclohexyl]methanamine [(1S,2S)-2-(4-methylpiperazin-1-…
| 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) | 0.81 | 3.53 | -94.44 | 4 | 3 | 2 | 35 | 213.369 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 1.18 | -44.06 | 3 | 3 | 1 | 34 | 212.361 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 2.95 | -108.63 | 4 | 3 | 2 | 35 | 213.369 | 2 | ↓ |
