| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 18 | No |
Popular Name: 5-(2-methyl-4-nitrophenyl)-2-furoic acid 5-(2-methyl-4-nitrophenyl)-2-fur…
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CAS Number: 378221-36-4
| 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) | 3.02 | 2.18 | -49.04 | 0 | 6 | -1 | 99 | 246.198 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM-3-B | Methionine Aminopeptidase (cluster #3 Of 3), Bacterial | Bacteria | 1110 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 1110 | 0.46 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.