In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2006 | 30 | No |
Popular Name: 1-benzyl-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(2-furyl)pyrrolidine-2,3-dione 1-benzyl-4-[(3-ethoxyphenyl)-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) | 3.44 | 9.5 | -45.18 | 0 | 6 | -1 | 83 | 402.426 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 0.77 | -15.28 | 1 | 6 | 0 | 79 | 403.434 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 0.66 | -24.74 | 0 | 6 | 0 | 76 | 403.434 | 7 | ↓ |