| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2011 | 25 | Yes |
Popular Name: 7,7-dimethyl-2,5-dioxo-N-[(1R)-1-(4-pyridyl)ethyl]-6,8-dihydro-1H-quinoline-3-carboxamide 7,7-dimethyl-2,5-dioxo-N-[(1R)-1…
| 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) | 1.55 | 5.4 | -19.17 | 2 | 6 | 0 | 92 | 339.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 4.7 | -54.61 | 1 | 6 | -1 | 95 | 338.387 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 5.86 | -46.93 | 3 | 6 | 1 | 93 | 340.403 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
