| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 22 | Yes |
Popular Name: 4-(4-aminobutyl)-6-imidazol-1-yl-1H-quinoxaline-2,3-dione 4-(4-aminobutyl)-6-imidazol-1-yl…
None
| 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) | -0.89 | 5.4 | -59.05 | 4 | 7 | 1 | 100 | 300.342 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.89 | 5.92 | -112.4 | 5 | 7 | 2 | 102 | 301.35 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0919554A1; US6121264 | IBM Patent Data |
