| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 29 | No |
Popular Name: 4-hydroxy-3-[C-methyl-N-[2-(2-pyridyl)ethyl]carbonimidoyl]-1-phenyl-quinolin-2-one 4-hydroxy-3-[C-methyl-N-[2-(2-py…
| 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) | 2.96 | 9.01 | -55.81 | 0 | 5 | -1 | 70 | 382.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 8.45 | -15.85 | 1 | 5 | 0 | 67 | 383.451 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.81 | 8.72 | -38.96 | 2 | 5 | 1 | 69 | 384.459 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 9.23 | -45.41 | 1 | 5 | 0 | 72 | 383.451 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 219 - 220 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.