| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 29 | No |
Popular Name: 1-benzyl-4-[hydroxy-(4-pyridyl)methylene]-5-(p-tolyl)pyrrolidine-2,3-dione 1-benzyl-4-[hydroxy-(4-pyridyl)m…
| 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) | 2.94 | 10.44 | -53.53 | 0 | 5 | -1 | 73 | 383.427 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 9.52 | -10.42 | 1 | 5 | 0 | 71 | 384.435 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 9.88 | -10.42 | 0 | 5 | 0 | 67 | 384.435 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 9.79 | -48.88 | 2 | 5 | 1 | 72 | 385.443 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 10.15 | -41.3 | 1 | 5 | 1 | 69 | 385.443 | 5 | ↓ |
