UCSF

ZINC13558740

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 No

Popular Name: [(1S,4R)-4-(2-amino-6-oxo-1H-purin-9-yl)-1-cyclopent-2-enyl]oxymethyl-(hydroxy-phosphonooxy-phosphor [(1S,4R)-4-(2-amino-6-oxo-1H-pur…

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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) -3.53 3 -368.67 3 16 -4 261 483.163 8 ↓
Mid Mid (pH 6-8) -3.53 1.84 -231.09 4 16 -3 258 484.171 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 300 0.30 Binding ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 300 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 300 0.30 Binding ≤ 1μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 300 0.30 Binding ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 300 0.30 Functional ≤ 10μM

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