In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 31 | No |
Popular Name: 5-(3,4-dimethoxyphenyl)-1-(2-furylmethyl)-4-(hydroxy-phenyl-methylene)-pyrrolidine-2,3-dione 5-(3,4-dimethoxyphenyl)-1-(2-fur…
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) | 2.68 | 8.51 | -62.01 | 0 | 7 | -1 | 92 | 418.425 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 1.21 | -19.69 | 1 | 7 | 0 | 89 | 419.433 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 1.16 | -13.87 | 0 | 7 | 0 | 86 | 419.433 | 7 | ↓ |