| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 21 | No |
Popular Name: 2-[4-(2-pyridyl)piperazin-1-yl]pyridine-4-carbothioamide 2-[4-(2-pyridyl)piperazin-1-yl]p…
| 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) | 1.58 | 5.02 | -43.14 | 3 | 5 | 1 | 60 | 300.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 5.32 | -98.04 | 4 | 5 | 2 | 61 | 301.419 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 4.73 | -18.27 | 2 | 5 | 0 | 58 | 299.403 | 3 | ↓ |
