| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | No |
Popular Name: 5-(Pyridin-2-yl)thiophene-2-sulfonohydrazide 5-(Pyridin-2-yl)thiophene-2-sulf…
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CAS Numbers: 175202-74-1 , [175202-74-1]
5-(2-PYRIDYL)THIOPHENE-2-SULFONOHYDRAZIDE
5-(Pyridin-2-yl)thiophene-2-sulphonohydrazide
| 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) | 1.11 | 0.2 | -12.03 | 3 | 5 | 0 | 85 | 255.324 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 0.29 | -23.2 | 3 | 5 | 0 | 89 | 255.324 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| METC-3-B | Cystathionine Beta-lyase MetC (cluster #3 Of 3), Bacterial | Bacteria | 3400 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| METC_ECOLI | P06721 | Cystathionine Beta-lyase MetC, Ecoli | 3400 | 0.48 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.