In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 23 | No |
Popular Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione 5-[[bis(2-hydroxyethyl)amino]met…
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) | -1.86 | -0.78 | -55.65 | 5 | 10 | 1 | 156 | 325.301 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.96 | -5.29 | -43.87 | 3 | 10 | -1 | 158 | 323.285 | 7 | ↓ |
Mid Mid (pH 6-8) | -1.86 | -3.11 | -14.45 | 4 | 10 | 0 | 155 | 324.293 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.96 | -2.8 | -70.43 | 4 | 10 | 0 | 160 | 324.293 | 7 | ↓ |