UCSF

ZINC00040146

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 2',3'-DIDEOXYADENOSINE 2',3'-DIDEOXYADENOSINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4097-22-7 , [4097-22-7]

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) 0.02 1.15 -10.79 3 7 0 99 235.247 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 188 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US6040297 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 2600 0.46 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 6300 0.43 Functional ≤ 10μM
Z50658-1-O Human Immunodeficiency Virus 2 (cluster #1 Of 4), Other Other 7200 0.42 Functional ≤ 10μM
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 6300 0.43 Functional ≤ 10μM
Z80295-2-O MT4 (Lymphocytes) (cluster #2 Of 8), Other Other 6300 0.43 Functional ≤ 10μM
Z80874-7-O CEM (T-cell Leukemia) (cluster #7 Of 7), Other Other 8000 0.42 Functional ≤ 10μM
Z81020-1-O HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other Other 6000 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80874 Z80874 CEM (T-cell Leukemia) 3670 0.45 Functional ≤ 10μM
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 6000 0.43 Functional ≤ 10μM
Z50677 Z50677 Human Immunodeficiency Virus 6300 0.43 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 4300 0.44 Functional ≤ 10μM
Z50658 Z50658 Human Immunodeficiency Virus 2 4500 0.44 Functional ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 6300 0.43 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 1000 0.49 Functional ≤ 10μM

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