| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 29 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-1-(3-methoxypropyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-dione 4-[hydroxy-(4-pyridyl)methylene]…
| 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) | 1.30 | 7.64 | -34.98 | 0 | 9 | -1 | 128 | 396.379 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 7.22 | -22.6 | 1 | 9 | 0 | 126 | 397.387 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 7.53 | -16.74 | 0 | 9 | 0 | 122 | 397.387 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 7.81 | -50.59 | 1 | 9 | 1 | 124 | 398.395 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 7.46 | -56.65 | 2 | 9 | 1 | 127 | 398.395 | 8 | ↓ |
