In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 24 | Yes |
Popular Name: 2,3-diethyl-N-(3-hydroxy-2-pyridyl)quinoxaline-6-carboxamide 2,3-diethyl-N-(3-hydroxy-2-pyrid…
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) | 3.09 | 2.93 | -32.26 | 2 | 6 | 0 | 96 | 322.368 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 4.15 | -53.56 | 1 | 6 | -1 | 94 | 321.36 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 1.65 | -50.61 | 1 | 6 | -1 | 94 | 321.36 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 5.27 | -21.09 | 2 | 6 | 0 | 92 | 322.368 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 4.39 | -17.46 | 2 | 6 | 0 | 88 | 322.368 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 5.15 | -47.61 | 1 | 6 | -1 | 91 | 321.36 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.09 | 2.17 | -22.85 | 3 | 6 | 0 | 93 | 323.376 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 4.51 | -35.98 | 3 | 6 | 1 | 89 | 323.376 | 4 | ↓ |