| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2008 | 18 | No |
Popular Name: 5-nitro-2-(pyridin-2-yl)-1H-1,3-benzodiazole 5-nitro-2-(pyridin-2-yl)-1H-1,3-…
Find On: PubMed — Wikipedia — Google
CAS Number: 51759-60-5
| 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) | 2.33 | 5.94 | -8.51 | 1 | 6 | 0 | 87 | 240.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 169 - 171 | Enamine Building Blocks |
| MP | 169...171 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4670402 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM-1-B | Methionine Aminopeptidase (cluster #1 Of 3), Bacterial | Bacteria | 162 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 162 | 0.53 | Binding ≤ 1μM |
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 162 | 0.53 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.