| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 22 | Yes |
Popular Name: 1-[[5-(3,5-dimethylphenyl)-3-pyridyl]methyl]-4-methyl-piperazine 1-[[5-(3,5-dimethylphenyl)-3-pyr…
| 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) | 3.16 | 8.76 | -38.59 | 1 | 3 | 1 | 21 | 296.438 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 8.64 | -40.95 | 1 | 3 | 1 | 21 | 296.438 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 6.39 | -5.06 | 0 | 3 | 0 | 19 | 295.43 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.23 | -85.8 | 2 | 3 | 2 | 22 | 297.446 | 3 | ↓ |
