| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2006 | 29 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-1-phenethyl-5-phenyl-pyrrolidine-2,3-dione 4-[hydroxy-(4-pyridyl)methylene]…
| 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) | 2.89 | 10.08 | -57.19 | 0 | 5 | -1 | 73 | 383.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 10.42 | -11.23 | 1 | 5 | 0 | 71 | 384.435 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 10.77 | -11.18 | 0 | 5 | 0 | 67 | 384.435 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 10.7 | -50.51 | 2 | 5 | 1 | 72 | 385.443 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 11.05 | -42.96 | 1 | 5 | 1 | 69 | 385.443 | 6 | ↓ |
