| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 24 | Yes |
Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-4-methyl-benzenesulfonamide N-[4-(4-methoxyphenyl)thiazol-2-…
| 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) | 4.86 | 6.72 | -15.49 | 1 | 5 | 0 | 72 | 360.46 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 6.49 | -48.54 | 0 | 5 | -1 | 70 | 359.452 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-2-E | Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 240 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 240 | 0.39 | Binding ≤ 1μM |
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 240 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
