| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 22 | No |
Popular Name: 7-nitro-5-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione 7-nitro-5-(piperazin-1-ylmethyl)…
| 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) | -1.30 | 1.42 | -53.65 | 4 | 9 | 1 | 131 | 306.302 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.40 | -0.75 | -73.41 | 3 | 9 | 0 | 134 | 305.294 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6080743; WO1997008155A1 | IBM Patent Data |
