In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 18 | No |
Popular Name: 5-(methylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione 5-(methylaminomethyl)-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) | -0.84 | 2.3 | -61.76 | 4 | 8 | 1 | 128 | 251.222 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.06 | -1.45 | -43.19 | 2 | 8 | -1 | 127 | 249.206 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 0.14 | -73.17 | 3 | 8 | 0 | 131 | 250.214 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.84 | 0.73 | -11.27 | 3 | 8 | 0 | 124 | 250.214 | 3 | ↓ |