| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 20 | Yes |
Popular Name: 1-[(1R,3R)-3-methylcyclohexyl]-4-(3-pyridylmethyl)piperazine 1-[(1R,3R)-3-methylcyclohexyl]-4…
| 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) | 2.31 | 7.3 | -37.03 | 1 | 3 | 1 | 21 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 5.02 | -3.49 | 0 | 3 | 0 | 19 | 273.424 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 7.36 | -38.92 | 1 | 3 | 1 | 21 | 274.432 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 7.74 | -86.96 | 2 | 3 | 2 | 22 | 275.44 | 3 | ↓ |
