| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2005 | 19 | Yes |
Popular Name: 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2…
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CAS Number: 424817-26-5
| 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) | 3.61 | 3.01 | -56.63 | 0 | 4 | -1 | 62 | 271.17 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.36e-02 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM-3-B | Methionine Aminopeptidase (cluster #3 Of 3), Bacterial | Bacteria | 368 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 368 | 0.47 | Binding ≤ 1μM |
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 368 | 0.47 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.