| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 31 | No |
Popular Name: 1-benzyl-4-[hydroxy-(4-pyridyl)methylene]-5-(4-nitrophenyl)-pyrrolidine-2,3-dione 1-benzyl-4-[hydroxy-(4-pyridyl)m…
| 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) | 2.45 | 10.47 | -49.76 | 0 | 8 | -1 | 119 | 414.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 9.57 | -22.01 | 1 | 8 | 0 | 116 | 415.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 9.88 | -15.06 | 0 | 8 | 0 | 113 | 415.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 10.16 | -48.76 | 1 | 8 | 1 | 114 | 416.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 9.8 | -54.65 | 2 | 8 | 1 | 118 | 416.413 | 6 | ↓ |
