| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2008 | 19 | No |
Popular Name: (4Z)-3-methyl-4-[(5-phenyl-2-furyl)methylene]isoxazol-5-one (4Z)-3-methyl-4-[(5-phenyl-2-fur…
| 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) | 2.79 | 9.53 | -22.2 | 0 | 4 | 0 | 56 | 253.257 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ISPE-1-B | 4-diphosphocytidyl-2-C-methyl-D-erythritol Kinase (cluster #1 Of 1), Bacterial | Bacteria | 6000 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ISPE_YERPE | Q8ZEY1 | 4-diphosphocytidyl-2-C-methyl-D-erythritol Kinase, Yerpe | 6000 | 0.38 | Binding ≤ 10μM |
