| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 16 | No |
Popular Name: (E)-4-((4-Bromophenyl)diazenyl)phenol (E)-4-((4-Bromophenyl)diazenyl)p…
Find On: PubMed — Wikipedia — Google
CAS Number: 3035-94-7
| 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) | 4.46 | 4.62 | -5.77 | 1 | 3 | 0 | 45 | 277.121 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 5.4 | -38.1 | 0 | 3 | -1 | 48 | 276.113 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC-6-B | Beta-lactamase (cluster #6 Of 6), Bacterial | Bacteria | 5000 | 0.46 | Binding ≤ 10μM |
| AMPH-2-B | Penicillin-binding Protein AmpH (cluster #2 Of 2), Bacterial | Bacteria | 5000 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 2300 | 0.49 | Binding ≤ 10μM |
| AMPH_ECOLI | P0AD70 | Penicillin-binding Protein AmpH, Ecoli | 5000 | 0.46 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.