| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 17 | No |
Popular Name: (3-nitrobenzoyl)alanine; (m-nitrobenzoyl)alanine; CPD-11569 (3-nitrobenzoyl)alanine; (m-nitr…
| 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) | -1.68 | -1.2 | -41.39 | 3 | 7 | 0 | 130 | 238.199 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-1-E | Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 500 | 0.52 | Binding ≤ 1μM |
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 4000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
