UCSF

ZINC05141640

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 20 Yes

Popular Name: 2-amino-7-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-3,5,7-triazabicyclo[4.3.0]nona-1,3,5,8-tetra 2-amino-7-(3,4-dihydroxy-5-methy…

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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) -0.24 -0.09 -10.06 4 8 0 130 275.268 1 ↓
Lo Low (pH 4.5-6) -0.24 -3.54 -31.39 5 8 1 131 276.276 1 ↓
Lo Low (pH 4.5-6) -0.24 0.18 -33.79 5 8 1 131 276.276 1 ↓

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 310 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_HUMAN P55263 Adenosine Kinase, Human 310 0.46 Binding ≤ 1μM
ADK_HUMAN P55263 Adenosine Kinase, Human 310 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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