In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 14th, 2006 | 31 | No |
Popular Name: 4-benzoyl-5-(4-ethoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-benzoyl-5-(4-ethoxyphenyl)-1-(…
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) | 2.97 | 9.68 | -40.52 | 0 | 6 | -1 | 83 | 413.453 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 8.11 | -29.67 | 1 | 6 | 0 | 80 | 414.461 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 9.11 | -23.84 | 0 | 6 | 0 | 77 | 414.461 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.97 | 8.68 | -43.16 | 2 | 6 | 1 | 81 | 415.469 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.39 | 9.39 | -50.71 | 1 | 6 | 1 | 78 | 415.469 | 7 | ↓ |