| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 21 | No |
Popular Name: 5-methyl-2-(2-(4-nitrophenyl)-2-oxoethyl)cyclohexane-1,3-dione 5-methyl-2-(2-(4-nitrophenyl)-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1023558-91-9
| 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) | 2.13 | 8.43 | -37.84 | 0 | 6 | -1 | 103 | 288.279 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 7 | -14.95 | 1 | 6 | 0 | 100 | 289.287 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 9.82 | -12.23 | 0 | 6 | 0 | 97 | 289.287 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
