| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 21 | No |
Popular Name: 2-{[(4,4-dimethyl-2,6-dioxocyclohexyliden)methyl]amino}benzenecarboxamide 2-{[(4,4-dimethyl-2,6-dioxocyclo…
Find On: PubMed — Wikipedia — Google
CAS Number: 497060-72-7
| 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) | 1.50 | 4.72 | -54.51 | 2 | 5 | -1 | 96 | 285.323 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | -2.23 | -20.95 | 2 | 5 | 0 | 89 | 286.331 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 3.5 | -47.81 | 4 | 5 | 1 | 92 | 287.339 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
