| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 24 | Yes |
Popular Name: N-[4-(4-hydroxy-3-methyl-phenyl)thiazol-2-yl]-4-methyl-benzenesulfonamide N-[4-(4-hydroxy-3-methyl-phenyl)…
| 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) | 5.17 | 5.31 | -15.54 | 2 | 5 | 0 | 83 | 360.46 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.24 | 5.08 | -49.28 | 1 | 5 | -1 | 81 | 359.452 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-2-E | Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 114 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 114 | 0.41 | Binding ≤ 1μM |
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 114 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
