| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 22 | No |
Popular Name: 4-(4-((2,4-difluorophenyl)amino)-3,5-thiazolyl)benzene-1,2-diol, hydrochloride 4-(4-((2,4-difluorophenyl)amino)…
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CAS Number: 1274892-36-2
| 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) | 3.94 | 4.09 | -9.34 | 3 | 4 | 0 | 65 | 320.32 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-2-B | Beta-lactamase (cluster #2 Of 6), Bacterial | Bacteria | 3000 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 3000 | 0.35 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.