| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2011 | 29 | Yes |
Popular Name: 6-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methylamino]pyridine-3-carbonitrile 6-methyl-2-[[2-[4-(2-pyridyl)pip…
| 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) | 1.90 | 11.97 | -78.65 | 3 | 7 | 2 | 83 | 387.491 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 11.1 | -11.27 | 1 | 7 | 0 | 81 | 385.475 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 11.58 | -38.57 | 2 | 7 | 1 | 82 | 386.483 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 11.5 | -31.17 | 2 | 7 | 1 | 82 | 386.483 | 5 | ↓ |
