| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 30 | Yes |
Popular Name: 5-benzyl-9-tert-butyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one 5-benzyl-9-tert-butyl-7,12-dihyd…
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| 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) | 6.26 | 14.35 | -10.51 | 1 | 3 | 0 | 36 | 394.518 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MDHM-1-E | Malate Dehydrogenase, Mitochondrial (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1600 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MDHM_HUMAN | P40926 | Malate Dehydrogenase, Mitochondrial, Human | 1600 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Citric acid cycle (TCA cycle) | |
| Gluconeogenesis |
