In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2006 | 28 | No |
Popular Name: 4-[(3-ethoxyphenyl)-hydroxy-methylene]-1-thiazol-2-yl-5-(2-thienyl)pyrrolidine-2,3-dione 4-[(3-ethoxyphenyl)-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) | 3.44 | 8.64 | -45.62 | 0 | 6 | -1 | 83 | 411.484 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.44 | -1.35 | -17.52 | 1 | 6 | 0 | 79 | 412.492 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.85 | -1.46 | -25.47 | 0 | 6 | 0 | 76 | 412.492 | 6 | ↓ |