| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 22 | No |
Popular Name: 3-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzenecarbothioamide 3-[[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) | 2.21 | 5.86 | -42.83 | 3 | 4 | 1 | 47 | 313.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 7.89 | -52.61 | 3 | 4 | 1 | 47 | 313.45 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 5.57 | -18.69 | 2 | 4 | 0 | 45 | 312.442 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 8.18 | -107.95 | 4 | 4 | 2 | 48 | 314.458 | 4 | ↓ |
