| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 17 | No |
Popular Name: methyl methyl
| 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) | 2.28 | 7.94 | -37.7 | 0 | 4 | -1 | 66 | 257.624 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 6.76 | -13.16 | 0 | 4 | 0 | 60 | 258.632 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO-1-E | Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2600 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KMO_RAT | O88867 | Kynurenine 3-monooxygenase, Rat | 2600 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
