| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 30th, 2008 | 33 | No |
Popular Name: [3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]BLAHdione [3-nitro-4-[4-(2-pyridyl)piperaz…
| 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) | 3.22 | 12.88 | -36.57 | 1 | 9 | 1 | 104 | 446.487 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 12.56 | -11.91 | 0 | 9 | 0 | 103 | 445.479 | 4 | ↓ |
