In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 23 | Yes |
Popular Name: 2,3-dioxo-N-(3-pyridylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide 2,3-dioxo-N-(3-pyridylmethyl)-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) | -1.06 | -0.27 | -20.33 | 3 | 8 | 0 | 125 | 332.341 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.16 | -2.42 | -53.98 | 2 | 8 | -1 | 128 | 331.333 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.06 | -0.66 | -42.49 | 2 | 8 | -1 | 127 | 331.333 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.19 | -0.36 | -66.19 | 2 | 8 | 1 | 124 | 331.333 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.06 | 0.01 | -53.73 | 4 | 8 | 1 | 126 | 333.349 | 4 | ↓ |