In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2007 | 33 | No |
Popular Name: 4-[hydroxy-(p-tolyl)methylene]-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-dione 4-[hydroxy-(p-tolyl)methylene]-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) | 2.66 | 7.84 | -57.71 | 0 | 9 | -1 | 119 | 450.471 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 10.53 | -57 | 1 | 9 | 1 | 114 | 452.487 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 9.9 | -51.36 | 2 | 9 | 1 | 117 | 452.487 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.66 | 10.2 | -72.01 | 1 | 9 | 0 | 120 | 451.479 | 7 | ↓ |