| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 21 | Yes |
Popular Name: ethyl 4-(3-oxo-1,2-benzisothiazol-2(3H)-yl)benzoate ethyl 4-(3-oxo-1,2-benzisothiazo…
benzoic acid, 4-(3-oxo-1,2-benzisothiazol-2(3H)-yl)-, ethyl ester
| 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) | 3.71 | 1.41 | -11.59 | 0 | 4 | 0 | 48 | 299.351 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPI-1-E | Mannose-6-phosphate Isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7200 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPI_HUMAN | P34949 | Mannose-6-phosphate Isomerase, Human | 7200 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of GDP-mannose |
