| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2008 | 28 | No |
Popular Name: 2-Propanone,1-(2-methylphenyl)-,oxime 2-Propanone,1-(2-methylphenyl)-,…
Find On: PubMed — Wikipedia — Google
CAS Number: 114382-11-5
| 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) | 4.84 | 7.11 | -13.35 | 2 | 7 | 0 | 96 | 370.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 6.75 | -52.99 | 1 | 7 | -1 | 98 | 369.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 7.88 | -50.68 | 1 | 7 | -1 | 98 | 369.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.