| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 34 | No |
Popular Name: 4,4-dimethyl-6-oxo-2-(phenethylamino)-N-(4-phenoxyphenyl)cyclohexene-1-carbothioamide 4,4-dimethyl-6-oxo-2-(phenethyla…
| 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) | 5.94 | 14.5 | -22.25 | 2 | 4 | 0 | 50 | 470.638 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.48 | 13.79 | -43.97 | 1 | 4 | -1 | 57 | 469.63 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
