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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC007098 DNC007098

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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 67 0.63 Binding ≤ 10μM
AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 5 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 67 0.63 Binding ≤ 1μM
AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 5 0.73 Binding ≤ 1μM
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 67 0.63 Binding ≤ 10μM
AA2AR_HUMAN P29274 Adenosine A2a Receptor, Human 5 0.73 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) 3.07 7.88 -7.94 2 4 0 65 232.312 3 ↓

Analogs

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Popular Name: 4-(2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine 4-(2,2-dimethylpropyl)-6-phenyl-…

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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) 3.21 8.94 -6.71 2 4 0 65 242.326 3 ↓

Analogs

32265110
32265110

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Popular Name: N4-(methoxymethyl)-6-phenyl-1,3,5-triazine-2,4-diamine N4-(methoxymethyl)-6-phenyl-1,3,…

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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) 1.79 5.57 -9.1 3 6 0 86 231.259 4 ↓

Analogs

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Popular Name: 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)benzamide 4-(4,6-dimethoxy-1,3,5-triazin-2…

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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) 0.99 -2.32 -12.17 2 7 0 100 260.253 4 ↓

Analogs

39248552
39248552

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Popular Name: 4-methylsulfanyl-6-phenyl-1,3,5-triazin-2-amine 4-methylsulfanyl-6-phenyl-1,3,5-…

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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) 2.70 7.01 -8.11 2 4 0 65 218.285 2 ↓

Analogs

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Popular Name: 2-(5-fluoro-2-methyl-phenyl)-4,6-dimethoxy-1,3,5-triazine 2-(5-fluoro-2-methyl-phenyl)-4,6…

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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) 2.71 1.26 -7.95 0 5 0 57 249.245 3 ↓

Parameters Provided:

ring.id = 60657
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 = 60657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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