| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 20 | Yes |
Popular Name: 4-(6-aminopurin-9-yl)-2-(1-hydroxyethyl)cyclopent-2-ene-1,5-diol 4-(6-aminopurin-9-yl)-2-(1-hydro…
| 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) | -0.95 | -9.08 | -14.31 | 5 | 8 | 0 | 130 | 277.284 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -4.26 | -8.89 | -33.5 | 6 | 8 | 1 | 132 | 278.292 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SAHH-1-E | Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 86 | 0.49 | Binding ≤ 10μM |
| Z50425-15-O | Plasmodium Falciparum (cluster #15 Of 22), Other | Other | 100 | 0.49 | Functional ≤ 10μM |
| Z81077-1-O | KATO III Cell Line (cluster #1 Of 1), Other | Other | 1100 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SAHH_MOUSE | P50247 | Adenosylhomocysteinase, Mouse | 86 | 0.49 | Binding ≤ 1μM |
| SAHH_MOUSE | P50247 | Adenosylhomocysteinase, Mouse | 86 | 0.49 | Binding ≤ 10μM |
| Z81077 | Z81077 | KATO III Cell Line | 1100 | 0.42 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 100 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Methylation | |
| Sulfur amino acid metabolism |
