UCSF

ZINC04773849

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 19 Yes

Popular Name: 5'-amino-5'-deoxyadenosine 5'-amino-5'-deoxyadenosine

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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) -1.42 -3.72 -55.04 7 9 1 147 267.269 2 ↓
Lo Low (pH 4.5-6) -1.42 -3.46 -91.52 8 9 2 148 268.277 2 ↓
Lo Low (pH 4.5-6) -1.42 -7.84 -90.63 8 9 2 148 268.277 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADK-1-E Adenosine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_HUMAN P55263 Adenosine Kinase, Human 10000 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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

No pre-computed analogs available. Try a structural similarity search.