| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 23 | Yes |
Popular Name: 2-[(2,6-diketocyclohexyl)-(5-methyl-2-furyl)methyl]cyclohexane-1,3-quinone 2-[(2,6-diketocyclohexyl)-(5-met…
| 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) | 0.62 | 9.39 | -16.88 | 0 | 5 | 0 | 81 | 316.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 7.68 | -52.52 | 1 | 5 | -1 | 91 | 315.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 9.23 | -45.27 | 0 | 5 | -1 | 87 | 315.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 8.54 | -130.97 | 0 | 5 | -2 | 93 | 314.337 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 8.6 | -54.26 | 1 | 5 | -1 | 91 | 315.345 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 9.49 | -50.23 | 0 | 5 | -1 | 87 | 315.345 | 3 | ↓ |
