| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 30 | No |
Popular Name: 5-(4-fluorophenyl)-4-[hydroxy-(4-pyridyl)methylene]-1-phenethyl-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) | 3.06 | 11 | -50.26 | 0 | 5 | -1 | 73 | 401.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 10.5 | -11.54 | 1 | 5 | 0 | 71 | 402.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 10.85 | -12.31 | 0 | 5 | 0 | 67 | 402.425 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 11.13 | -45.2 | 1 | 5 | 1 | 69 | 403.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 10.77 | -51.95 | 2 | 5 | 1 | 72 | 403.433 | 6 | ↓ |
