| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2010 | 13 | Yes |
Popular Name: 3-(2-Pyridinyl)cyclohexanone 3-(2-Pyridinyl)cyclohexanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110225-73-5 , [110225-73-5] , [11024-24-1] , [110256-15-0] , [110274-75-4] , [110284-78-1] , [110284-79-2] , [1102854-35-2]
1-Pyrimidin-2-yl-piperidine-2-carboxylic acid
2-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzoic acid
2-[(4,6-Dimethoxypyrimidin-2-yl)thio]benzoic acid
5-Amino-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
| 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) | 1.09 | 5.56 | -8.28 | 0 | 2 | 0 | 30 | 175.231 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 5.97 | -36.33 | 1 | 2 | 1 | 31 | 176.239 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.