| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 28 | No |
Popular Name: ANNULIN B ANNULIN B
None
| 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) | 2.60 | 8.74 | -11.53 | 1 | 7 | 0 | 107 | 388.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 9.74 | -44.32 | 0 | 7 | -1 | 110 | 387.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 9.04 | -45.6 | 0 | 7 | -1 | 110 | 387.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 8.2 | -43.51 | 0 | 7 | -1 | 110 | 387.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 9.89 | -49.43 | 0 | 7 | -1 | 110 | 387.408 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| I23O1-1-E | Indoleamine 2,3-dioxygenase 1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 120 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| I23O1_HUMAN | P14902 | Indoleamine 2,3-dioxygenase, Human | 120 | 0.35 | Binding ≤ 1μM |
| I23O1_HUMAN | P14902 | Indoleamine 2,3-dioxygenase, Human | 120 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
