In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2006 | 26 | No |
Popular Name: 1-[2-(2-hydroxyethoxy)ethyl]-5-(3-pyridyl)-4-(2-thienylcarbonyl)pyrrolidine-2,3-dione 1-[2-(2-hydroxyethoxy)ethyl]-5-(…
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) | 0.30 | 1.58 | -19.09 | 2 | 7 | 0 | 100 | 374.418 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.28 | 2.24 | -27.39 | 1 | 7 | 0 | 97 | 374.418 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.75 | 1.58 | -69.85 | 3 | 7 | 1 | 101 | 375.426 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.28 | 2.53 | -59.44 | 2 | 7 | 1 | 98 | 375.426 | 8 | ↓ |