| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 18 | No |
Popular Name: 2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-quinone 2,2-dimethyl-3,4-dihydrobenzo[g]…
| 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) | 2.95 | 1.79 | -8.21 | 0 | 3 | 0 | 43 | 242.274 | 0 | ↓ |
| 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 | 4340 | 0.42 | Binding ≤ 10μM |
| Z101879-1-O | Leptomonas Seymouri (cluster #1 Of 1), Other | Other | 4100 | 0.42 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 800 | 0.47 | Functional ≤ 10μM |
| Z80482-1-O | SK-MEL-2 (Melanoma Cells) (cluster #1 Of 4), Other | Other | 7900 | 0.40 | Functional ≤ 10μM |
| Z80901-1-O | HaCaT (Keratinocytes) (cluster #1 Of 2), Other | Other | 10000 | 0.39 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| I23O1_HUMAN | P14902 | Indoleamine 2,3-dioxygenase, Human | 4340 | 0.42 | Binding ≤ 10μM |
| Z101879 | Z101879 | Leptomonas Seymouri | 4100 | 0.42 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 800 | 0.47 | Functional ≤ 10μM |
| Z80482 | Z80482 | SK-MEL-2 (Melanoma Cells) | 7900 | 0.40 | Functional ≤ 10μM |
| Z80901 | Z80901 | HaCaT (Keratinocytes) | 10000 | 0.39 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Tryptophan catabolism |
No pre-computed analogs available. Try a structural similarity search.