| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2004 | 20 | Yes |
| 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) | 4.57 | -0.4 | -6.8 | 1 | 2 | 0 | 28 | 280.396 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THIL-1-E | Acetyl-CoA Acetyltransferase, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 770 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THIL_RAT | P17764 | Acetyl-CoA Acetyltransferase, Mitochondrial, Rat | 770 | 0.43 | Binding ≤ 1μM |
| THIL_RAT | P17764 | Acetyl-CoA Acetyltransferase, Mitochondrial, Rat | 770 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Branched-chain amino acid catabolism | |
| Synthesis of Ketone Bodies | |
| Utilization of Ketone Bodies |
