In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2006 | 31 | No |
Popular Name: 5-(2-furyl)-4-[hydroxy-(3-propoxyphenyl)-methylene]-1-(4-pyridylmethyl)pyrrolidine-2,3-dione 5-(2-furyl)-4-[hydroxy-(3-propox…
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) | 2.66 | 8.86 | -43.49 | 0 | 7 | -1 | 96 | 417.441 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 0.34 | -16.1 | 1 | 7 | 0 | 92 | 418.449 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 0.23 | -25.12 | 0 | 7 | 0 | 89 | 418.449 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 0.24 | -49.84 | 2 | 7 | 1 | 94 | 419.457 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 0.45 | -51.73 | 2 | 7 | 1 | 94 | 419.457 | 8 | ↓ |