| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 17 | No |
Popular Name: 5-nitro-2-(1,3-thiazol-4-yl)-1H-benzimidazole 5-nitro-2-(1,3-thiazol-4-yl)-1H-…
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CAS Number: 3575-05-1
| 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) | 2.29 | 4.75 | -8.64 | 1 | 6 | 0 | 87 | 246.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.32 | -38.73 | 0 | 6 | -1 | 86 | 245.243 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 257 - 259 | Enamine Building Blocks |
| MP | 257...259 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM-1-B | Methionine Aminopeptidase (cluster #1 Of 3), Bacterial | Bacteria | 1218 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 1218 | 0.49 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.