| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 24 | Yes |
Popular Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-4-methyl-benzenesulfonamide N-[4-(3,4-dichlorophenyl)thiazol…
| 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) | 5.16 | 8.16 | -45.87 | 0 | 4 | -1 | 61 | 398.316 | 4 | ↓ |
| Mid Mid (pH 6-8) | 6.09 | 8.4 | -14.53 | 1 | 4 | 0 | 62 | 399.324 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-2-E | Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 56 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 56 | 0.42 | Binding ≤ 1μM |
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 56 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
