| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 22 | No |
Popular Name: 4-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzenecarbothioamide 4-[[4-(2-pyridyl)piperazin-1-yl]…
| 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) | 2.23 | 5.87 | -45.46 | 3 | 4 | 1 | 47 | 313.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 7.9 | -58.63 | 3 | 4 | 1 | 47 | 313.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 5.58 | -17.34 | 2 | 4 | 0 | 45 | 312.442 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 8.19 | -119.41 | 4 | 4 | 2 | 48 | 314.458 | 4 | ↓ |
