UCSF

ZINC48999120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 32 No

Popular Name: (2R)-2-acetamido-N-[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]- (2R)-2-acetamido-N-[[(2R,3S,4R,5…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.85 -1.85 -18.68 6 14 0 207 468.496 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9Y0I0-1-E Adenosine Transporter 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3470 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9Y0I0_9TRYP Q9Y0I0 Adenosine Transporter 1, 9tryp 3470 0.24 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )