In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2006 | 31 | No |
Popular Name: 1-benzyl-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(4-methoxyphenyl)-pyrrolidine-2,3-dione 1-benzyl-4-[(4-fluorophenyl)-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) | 4.00 | 10.48 | -36.5 | 0 | 5 | -1 | 70 | 416.428 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 1.62 | -20.41 | 0 | 5 | 0 | 63 | 417.436 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.00 | 9.35 | -16.02 | 1 | 5 | 0 | 67 | 417.436 | 6 | ↓ |