| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 23 | No |
Popular Name: 5-[(diisopropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione 5-[(diisopropylamino)methyl]-7-n…
| 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) | 0.75 | 6.46 | -48.63 | 3 | 8 | 1 | 116 | 321.357 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 1.99 | -42.08 | 1 | 8 | -1 | 118 | 319.341 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 4.34 | -10.69 | 2 | 8 | 0 | 115 | 320.349 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 4.25 | -60 | 2 | 8 | 0 | 119 | 320.349 | 5 | ↓ |
