| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 34 | Yes |
Popular Name: 9-anthryl-[4-[(2-methyl-6-quinolyl)methyl]-1-piperidyl]methanone 9-anthryl-[4-[(2-methyl-6-quinol…
| 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) | 5.81 | 16.04 | -17.09 | 0 | 3 | 0 | 33 | 444.578 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.81 | 16.43 | -37.42 | 1 | 3 | 1 | 34 | 445.586 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACACA-1-E | Acetyl-CoA Carboxylase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 325 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACACA_RAT | P11497 | Acetyl-CoA Carboxylase 1, Rat | 325 | 0.27 | Binding ≤ 1μM |
| ACACA_RAT | P11497 | Acetyl-CoA Carboxylase 1, Rat | 325 | 0.27 | Binding ≤ 10μM |
