| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 29 | No |
Popular Name: 3-methyl-N-[6-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-3-pyridyl]butanamide 3-methyl-N-[6-[4-[(4-nitrophenyl…
| 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) | 3.39 | 9.35 | -13.99 | 1 | 8 | 0 | 94 | 397.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 9.68 | -42.35 | 2 | 8 | 1 | 96 | 398.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 11.58 | -60.48 | 2 | 8 | 1 | 95 | 398.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 11.9 | -122.25 | 3 | 8 | 2 | 97 | 399.495 | 7 | ↓ |
