| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 29 | No |
Popular Name: 1-benzyl-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-dione 1-benzyl-4-[(4-chlorophenyl)-hyd…
| 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) | 3.17 | 11.05 | -51.11 | 0 | 5 | -1 | 73 | 403.845 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 10.52 | -10.9 | 0 | 5 | 0 | 67 | 404.853 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 10.15 | -11.01 | 1 | 5 | 0 | 71 | 404.853 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.58 | 10.8 | -49.87 | 1 | 5 | 1 | 69 | 405.861 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 10.43 | -42.99 | 2 | 5 | 1 | 72 | 405.861 | 5 | ↓ |
