| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 16 | No |
Popular Name: (4aR,8aR)-3,4-dioxo-4a,8a-dihydronaphthalene-1-sulfonic (4aR,8aR)-3,4-dioxo-4a,8a-dihydr…
| 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) | -0.70 | -1.97 | -48.19 | 2 | 5 | -1 | 98 | 239.228 | 1 | ↓ |
| Ref Reference (pH 7) | -3.48 | 1.59 | -35.79 | 0 | 5 | -1 | 91 | 239.228 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | -1.04 | -102.79 | 1 | 5 | -2 | 100 | 238.22 | 1 | ↓ |
