| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 27 | No |
Popular Name: 4-isopropyl-N-[4-(3-nitrophenyl)thiazol-2-yl]benzenesulfonamide 4-isopropyl-N-[4-(3-nitrophenyl)…
| 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) | 4.88 | 9.14 | -52.35 | 0 | 7 | -1 | 107 | 402.477 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.80 | 8.84 | -17.8 | 1 | 7 | 0 | 108 | 403.485 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-2-E | Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 990 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 990 | 0.31 | Binding ≤ 1μM |
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 990 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
