| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 20 | No |
Popular Name: 5-[(isopropylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione 5-[(isopropylamino)methyl]-7-nit…
| 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) | -0.17 | 3.69 | -58.91 | 4 | 8 | 1 | 128 | 279.276 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | 2.36 | -11.13 | 3 | 8 | 0 | 124 | 278.268 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 0.16 | -43.27 | 2 | 8 | -1 | 127 | 277.26 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 1.52 | -69.59 | 3 | 8 | 0 | 131 | 278.268 | 4 | ↓ |
