In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 29 | No |
Popular Name: (2R,3S,4R,5S)-2-methylol-5-[6-[(4-nitrobenzyl)thio]purin-9-yl]tetrahydrofuran-3,4-diol (2R,3S,4R,5S)-2-methylol-5-[6-[(…
None
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) | 1.01 | 2.83 | -18.48 | 3 | 11 | 0 | 159 | 419.419 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5773424 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
S29A1-1-E | Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
S29A1_HUMAN | Q99808 | Equilibrative Nucleoside Transporter 1, Human | 0.7 | 0.44 | Binding ≤ 1μM |
S29A1_HUMAN | Q99808 | Equilibrative Nucleoside Transporter 1, Human | 0.7 | 0.44 | Binding ≤ 10μM |
Description | Species |
---|---|
Transport of nucleosides and free purine and pyrimidine bases across the plasma |