| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 15th, 2011 | 24 | Yes |
Popular Name: 6-[(3-isobutylimidazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(3-isobutylimidazol-4-yl)meth…
| 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) | 1.38 | 6.55 | -68.9 | 1 | 7 | 0 | 101 | 323.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 5.69 | -53.06 | 0 | 7 | -1 | 100 | 322.348 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 8.54 | -60.09 | 2 | 7 | 1 | 98 | 324.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
