| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 30 | No |
Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-1-phenethyl-5-(3-pyridyl)pyrrolidine-2,3-dione 4-[(4-fluorophenyl)-hydroxy-meth…
| 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) | 3.11 | 11.3 | -54.04 | 0 | 5 | -1 | 73 | 401.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 9.96 | -11.67 | 1 | 5 | 0 | 71 | 402.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 10.32 | -12.81 | 0 | 5 | 0 | 67 | 402.425 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 10.24 | -41.2 | 2 | 5 | 1 | 72 | 403.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 10.6 | -47.64 | 1 | 5 | 1 | 69 | 403.433 | 6 | ↓ |
