| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2006 | 28 | No |
Popular Name: 4-(hydroxy-phenyl-methylene)-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-(hydroxy-phenyl-methylene)-5-(…
| 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) | 1.25 | 7.87 | -57.44 | 0 | 6 | -1 | 86 | 370.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 7.86 | -13.72 | 1 | 6 | 0 | 83 | 371.396 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 8.21 | -12.48 | 0 | 6 | 0 | 80 | 371.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 8.14 | -43.39 | 2 | 6 | 1 | 85 | 372.404 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 8.42 | -92.18 | 3 | 6 | 2 | 86 | 373.412 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 8.14 | -43.71 | 2 | 6 | 1 | 85 | 372.404 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 8.49 | -46.72 | 1 | 6 | 1 | 81 | 372.404 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 8.49 | -49.35 | 1 | 6 | 1 | 81 | 372.404 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 8.77 | -102.19 | 2 | 6 | 2 | 83 | 373.412 | 5 | ↓ |
