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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

8586468
8586468
8586469
8586469

Draw Identity 99% 90% 80% 70%

Popular Name: 2'-MeCCPA 2'-MeCCPA

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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) 1.41 -0.87 -13.28 4 9 0 126 383.836 4 ↓

Analogs

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Popular Name: (2R,3S,4R,5S)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-2,3,4-triol (2R,3S,4R,5S)-5-[2-chloro-6-(cyc…

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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) 0.95 0.91 -10.79 4 9 0 126 355.782 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-2,3,4-triol (2R,3S,4R,5R)-5-[2-chloro-6-(cyc…

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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) 0.95 0.32 -13.92 4 9 0 126 355.782 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5S)-5-[6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-2,3,4-triol (2R,3S,4R,5S)-5-[6-(cyclopentyla…

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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) -0.05 1.11 -12.27 4 9 0 126 321.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]tetrahydrofuran-2,3,4-triol (2R,3S,4R,5R)-5-[6-(cyclopentyla…

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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) -0.05 0.52 -14.04 4 9 0 126 321.337 3 ↓

Analogs

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Popular Name: (2S,3R,4R,5S)-5-[6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol (2S,3R,4R,5S)-5-[6-(cyclopentyla…

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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) 0.41 -0.4 -10.53 4 9 0 126 349.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S)-5-[6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol (2S,3S,4R,5S)-5-[6-(cyclopentyla…

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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) 0.41 0.93 -12.21 4 9 0 126 349.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5S)-5-[6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol (2R,3R,4R,5S)-5-[6-(cyclopentyla…

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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) 0.41 -0.53 -10.49 4 9 0 126 349.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5S)-5-[6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol (2R,3S,4R,5S)-5-[6-(cyclopentyla…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 350 0.36 Binding ≤ 10μM
ADCY2-1-E Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic Eukaryotes 304 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_BOVIN P28190 Adenosine A1 Receptor, Bovin 350 0.36 Binding ≤ 1μM
ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 304 0.36 Binding ≤ 1μM
AA1R_BOVIN P28190 Adenosine A1 Receptor, Bovin 350 0.36 Binding ≤ 10μM
ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 304 0.36 Binding ≤ 10μM

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) 0.41 0.04 -12.76 4 9 0 126 349.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-3-methyl-tetrahydrofuran (2S,3R,4R,5S)-5-[2-chloro-6-(cyc…

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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) 1.41 -0.61 -9.79 4 9 0 126 383.836 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-2-(hydroxymethyl)-3-methyl-tetrahydrofuran (2S,3S,4R,5S)-5-[2-chloro-6-(cyc…

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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) 1.41 0.72 -10.95 4 9 0 126 383.836 4 ↓

Parameters Provided:

ring.id = 20295
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 20295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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