| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 22 | Yes |
Popular Name: [3-[(1S,2S)-2-(4-methylpiperazin-1-yl)cyclohexoxy]phenyl]methanamine [3-[(1S,2S)-2-(4-methylpiperazin…
| 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) | 2.46 | 5.8 | -93.37 | 4 | 4 | 2 | 45 | 305.466 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 3.33 | -50.57 | 3 | 4 | 1 | 43 | 304.458 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 5.63 | -93.14 | 4 | 4 | 2 | 45 | 305.466 | 4 | ↓ |
