| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 5-nitro-2,1,3-benzothiadiazole 5-nitro-2,1,3-benzothiadiazole
Find On: PubMed — Wikipedia — Google
CAS Number: 16252-88-3
| 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) | 1.97 | 3.22 | -5.92 | 0 | 5 | 0 | 72 | 181.176 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRXR2-1-E | Thioredoxin Reductase 2, Mitochondrial (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRXR2_PLAF7 | P61076 | Thioredoxin Reductase, Plaf7 | 10000 | 0.58 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.