| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 3rd, 2009 | 22 | Yes |
Popular Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(o-tolyl)-1,3,4-oxadiazole 2-(2,3-dihydro-1,4-benzodioxin-6…
| 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) | 3.64 | 4.56 | -10.36 | 0 | 5 | 0 | 57 | 294.31 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2-4-E | Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic | Eukaryotes | 100 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 100 | 0.45 | Binding ≤ 1μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 100 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
