| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2006 | 25 | No |
Popular Name: 4-methyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-benzenesulfonamide 4-methyl-N-[4-(3-nitrophenyl)thi…
| 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) | 3.81 | 7.88 | -53.2 | 0 | 7 | -1 | 107 | 374.423 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.74 | 7.59 | -18.43 | 1 | 7 | 0 | 108 | 375.431 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-2-E | Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 48 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 48 | 0.41 | Binding ≤ 1μM |
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 48 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
