| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: 2-(2-furyl)-4H-3,1-benzoxazin-4-one 2-(2-furyl)-4H-3,1-benzoxazin-4-one
Find On: PubMed — Wikipedia — Google
CAS Number: 20492-07-3
| 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) | 2.35 | 4.45 | -10.44 | 0 | 4 | 0 | 56 | 213.192 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE-1-E | Neutrophil Elastase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5500 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 5500 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
No pre-computed analogs available. Try a structural similarity search.