| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 29 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-5-(p-tolyl)-1-(3-pyridylmethyl)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) | 1.70 | 9.44 | -55.42 | 0 | 6 | -1 | 86 | 384.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | -0.85 | -12.89 | 0 | 6 | 0 | 80 | 385.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | -0.73 | -12.16 | 1 | 6 | 0 | 83 | 385.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | -0.51 | -90.8 | 3 | 6 | 2 | 85 | 387.439 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | -0.62 | -41.61 | 2 | 6 | 1 | 84 | 386.431 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | -0.62 | -50.54 | 2 | 6 | 1 | 84 | 386.431 | 5 | ↓ |
