| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 20 | No |
Popular Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(E)-2-bromovinyl]tetrahydrofuran-3,4-diol (2R,3R,4S,5R)-2-(6-aminopurin-9-…
| 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) | 0.69 | 0.37 | -11.46 | 4 | 8 | 0 | 119 | 342.153 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 0.63 | -32.84 | 5 | 8 | 1 | 121 | 343.161 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | -3.75 | -33.87 | 5 | 8 | 1 | 121 | 343.161 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SAHH-1-E | Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 134 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 134 | 0.48 | Binding ≤ 1μM |
| SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 134 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Methylation | |
| Sulfur amino acid metabolism |
