| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 23 | No |
Popular Name: (2S)-2-methyl-3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic (2S)-2-methyl-3-[(7-nitro-2,3-di…
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) | -0.85 | 4.56 | -69.87 | 4 | 10 | 0 | 168 | 322.277 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.05 | 1.03 | -91.57 | 2 | 10 | -2 | 167 | 320.261 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 3.17 | -50.2 | 3 | 10 | -1 | 164 | 321.269 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 2.39 | -88.08 | 3 | 10 | -1 | 171 | 321.269 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6080743 | IBM Patent Data |
