| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | Yes |
Popular Name: 4-(3-ethoxyphenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile 4-(3-ethoxyphenyl)-2-oxo-5,6,7,8…
| 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) | 3.59 | 7.71 | -17.55 | 1 | 4 | 0 | 66 | 294.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.05 | 5.78 | -53.11 | 0 | 4 | -1 | 69 | 293.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
