| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2006 | 20 | No |
Popular Name: 5,5-dimethyl-2-[(2-oxoazepan-3-yl)aminomethylene]cyclohexane-1,3-dione 5,5-dimethyl-2-[(2-oxoazepan-3-y…
| 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) | 1.03 | 4.72 | -36.09 | 1 | 5 | -1 | 82 | 277.344 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | -2.51 | -34.77 | 2 | 5 | 1 | 77 | 279.36 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.11 | 3.49 | -16.66 | 2 | 5 | 0 | 75 | 278.352 | 2 | ↓ |
