In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 29th, 2006 | 27 | No |
Popular Name: 1-[2-(2-hydroxyethoxy)ethyl]-4-(hydroxy-phenyl-methylene)-5-(3-pyridyl)pyrrolidine-2,3-dione 1-[2-(2-hydroxyethoxy)ethyl]-4-(…
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) | 0.40 | 3.07 | -61.82 | 1 | 7 | -1 | 103 | 367.381 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.18 | 4.03 | -20.01 | 1 | 7 | 0 | 97 | 368.389 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 2.69 | -15.63 | 2 | 7 | 0 | 100 | 368.389 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.18 | 4.33 | -60.86 | 2 | 7 | 1 | 98 | 369.397 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 2.99 | -56.49 | 3 | 7 | 1 | 101 | 369.397 | 7 | ↓ |