| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate methyl 3-(2,6-dichlorophenyl)-5-…
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CAS Numbers: 4402-83-9 , [4402-83-9]
methyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
methyl-3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
| 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) | 3.34 | 3.28 | -9.92 | 0 | 4 | 0 | 52 | 286.114 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 111 - 113 | KeyOrganics |
| Purity | 97% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 920 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 36 | 0.58 | Functional ≤ 10μM |
