| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 28 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-1-(2-methoxyethyl)-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) | 1.03 | 6.9 | -36.7 | 0 | 9 | -1 | 128 | 382.352 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 6.47 | -24.53 | 1 | 9 | 0 | 126 | 383.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 6.79 | -17.46 | 0 | 9 | 0 | 122 | 383.36 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 7.07 | -50.88 | 1 | 9 | 1 | 124 | 384.368 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 6.72 | -56.59 | 2 | 9 | 1 | 127 | 384.368 | 7 | ↓ |
