| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 31 | No |
Popular Name: 1-benzyl-4-[hydroxy-(4-pyridyl)methylene]-5-(3-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) | 2.42 | 11.14 | -47.92 | 0 | 8 | -1 | 119 | 414.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 9.54 | -14.67 | 1 | 8 | 0 | 116 | 415.405 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 9.91 | -15.34 | 0 | 8 | 0 | 113 | 415.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 9.82 | -55.21 | 2 | 8 | 1 | 118 | 416.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 10.19 | -48.85 | 1 | 8 | 1 | 114 | 416.413 | 6 | ↓ |
