| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 29 | No |
Popular Name: 5-(4-fluorophenyl)-4-[hydroxy-(4-pyridyl)methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(4-fluorophenyl)-4-[hydroxy-(4…
| 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) | 1.41 | 8.77 | -53.37 | 0 | 6 | -1 | 86 | 388.378 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 7.96 | -12.83 | 1 | 6 | 0 | 83 | 389.386 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 8.36 | -13.11 | 0 | 6 | 0 | 80 | 389.386 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 8.91 | -93.36 | 2 | 6 | 2 | 83 | 391.402 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 8.63 | -45.51 | 1 | 6 | 1 | 81 | 390.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 8.64 | -50.64 | 1 | 6 | 1 | 81 | 390.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 8.24 | -52.98 | 2 | 6 | 1 | 85 | 390.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 8.24 | -45.08 | 2 | 6 | 1 | 85 | 390.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 8.52 | -95.33 | 3 | 6 | 2 | 86 | 391.402 | 5 | ↓ |
