| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 27 | Yes |
Popular Name: 2-[6-[(4-chlorophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 2-[6-[(4-chlorophenyl)methylsulf…
| 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) | 1.73 | -9.39 | -15.4 | 3 | 8 | 0 | 113 | 408.867 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S29A1-1-E | Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 14 | 0.41 | Binding ≤ 10μM |
| S29A1-1-E | Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 15 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S29A1_HUMAN | Q99808 | Equilibrative Nucleoside Transporter 1, Human | 14.23 | 0.41 | Binding ≤ 1μM |
| S29A1_HUMAN | Q99808 | Equilibrative Nucleoside Transporter 1, Human | 14.23 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Transport of nucleosides and free purine and pyrimidine bases across the plasma |
