| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 23 | Yes |
Popular Name: 1-[[5-(2,5-dimethylphenyl)-3-pyridyl]methyl]-4-ethyl-piperazine 1-[[5-(2,5-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) | 3.54 | 9.31 | -35.52 | 1 | 3 | 1 | 21 | 310.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 9.3 | -39.31 | 1 | 3 | 1 | 21 | 310.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 7.03 | -4.21 | 0 | 3 | 0 | 19 | 309.457 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 9.78 | -87.59 | 2 | 3 | 2 | 22 | 311.473 | 4 | ↓ |
