In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 29th, 2006 | 30 | No |
Popular Name: 1-benzyl-4-[(4-bromophenyl)-hydroxy-methylene]-5-(3-fluorophenyl)-pyrrolidine-2,3-dione 1-benzyl-4-[(4-bromophenyl)-hydr…
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) | 4.72 | 11.38 | -60.11 | 0 | 4 | -1 | 60 | 465.298 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 12.52 | -10.48 | 0 | 4 | 0 | 54 | 466.306 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.72 | 12.12 | -11.3 | 1 | 4 | 0 | 58 | 466.306 | 5 | ↓ |