| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 32 | No |
Popular Name: 4-[hydroxy-(p-tolyl)methylene]-5-(3-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[hydroxy-(p-tolyl)methylene]-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) | 2.92 | 10.27 | -53.32 | 0 | 8 | -1 | 119 | 428.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 10.57 | -16.34 | 0 | 8 | 0 | 113 | 429.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 9.59 | -13.55 | 1 | 8 | 0 | 116 | 429.432 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.37 | 9.87 | -45.28 | 2 | 8 | 1 | 118 | 430.44 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 10.85 | -52.13 | 1 | 8 | 1 | 114 | 430.44 | 6 | ↓ |
