| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 16 | No |
Popular Name: 2,3,5,6-TETRAHYDROXY-1,4-DINITROCYCLOHEXANE DIHYDRATE 2,3,5,6-TETRAHYDROXY-1,4-DINITRO…
Find On: PubMed — Wikipedia — Google
CAS Number: 37098-43-4
| 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) | -2.86 | -5.61 | -15.88 | 4 | 10 | 0 | 173 | 238.152 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.06 | -3.58 | -34.29 | 4 | 10 | -1 | 179 | 237.144 | 1 | ↓ |
| Hi High (pH 8-9.5) | -3.25 | -4.87 | -94.01 | 4 | 10 | -2 | 185 | 236.136 | 0 | ↓ |
