| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 29 | No |
Popular Name: 2-(3-Benzooxazol-2-ylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-(3-Benzooxazol-2-ylphenyl)-1,3…
Find On: PubMed — Wikipedia — Google
CAS Number: 314038-76-1
| 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) | 4.58 | -0.79 | -49.1 | 0 | 7 | -1 | 105 | 383.339 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPSE-1-E | Heparanase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPSE_HUMAN | Q9Y251 | Heparanase, Human | 7943.28235 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| HS-GAG degradation |
No pre-computed analogs available. Try a structural similarity search.