| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 21 | No |
Popular Name: 5-(diethylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione 5-(diethylaminomethyl)-7-nitro-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) | 0.15 | 5.79 | -53.75 | 3 | 8 | 1 | 116 | 293.303 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 1.08 | -43.31 | 1 | 8 | -1 | 118 | 291.287 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 3.51 | -65.61 | 2 | 8 | 0 | 119 | 292.295 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 3.7 | -10.56 | 2 | 8 | 0 | 115 | 292.295 | 5 | ↓ |
