| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 23 | Yes |
Popular Name: 3-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-yl]propanenitrile 3-[4-[[5-(2-chlorophenyl)-2-thie…
None
| 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 | 10.51 | -46.17 | 1 | 3 | 1 | 31 | 346.907 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 8.19 | -9.61 | 0 | 3 | 0 | 30 | 345.899 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 10.41 | -52.73 | 1 | 3 | 1 | 31 | 346.907 | 5 | ↓ |
