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

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Popular Name: 7-benzyl-3-(3-chlorophenyl)-1-(cyclopropylmethyl)purine-2,6-dione 7-benzyl-3-(3-chlorophenyl)-1-(c…

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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) 4.67 15.23 -13.31 0 6 0 62 406.873 5 ↓

Analogs

35830536
35830536

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Popular Name: 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-7-[(2-fluorophenyl)methyl]purine-2,6-dione 1-(cyclopropylmethyl)-3-(3-fluor…

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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) 4.27 14.82 -10.62 0 6 0 62 408.408 5 ↓

Analogs

35830536
35830536

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Popular Name: 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]purine-2,6-dione 1-(cyclopropylmethyl)-3-(3-fluor…

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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) 4.32 14.86 -15.5 0 6 0 62 408.408 5 ↓

Analogs

35830536
35830536

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Popular Name: 1-(cyclopropylmethyl)-3-(3-fluorophenyl)-7-(o-tolylmethyl)purine-2,6-dione 1-(cyclopropylmethyl)-3-(3-fluor…

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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) 4.55 14.88 -12.54 0 6 0 62 404.445 5 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methyl]purine-2,6-dione 1-(cyclopropylmethyl)-3-(4-fluor…

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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) 4.13 14.85 -14.01 0 6 0 62 408.408 5 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-(p-tolylmethyl)purine-2,6-dione 1-(cyclopropylmethyl)-3-(4-fluor…

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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) 4.41 15.46 -12.47 0 6 0 62 404.445 5 ↓

Analogs

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Popular Name: 7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)purine-2,6-dione 7-[(3-chlorophenyl)methyl]-1-(cy…

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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) 4.62 15.3 -14.57 0 6 0 62 424.863 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-(o-tolylmethyl)purine-2,6-dione 1-(cyclopropylmethyl)-3-(4-fluor…

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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) 4.37 14.88 -11.39 0 6 0 62 404.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-[(3-fluorophenyl)methyl]purine-2,6-dione 1-(cyclopropylmethyl)-3-(4-fluor…

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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) 4.11 14.85 -15.91 0 6 0 62 408.408 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(cyclopropylmethyl)-7-(m-tolylmethyl)purine-2,6-dione 3-(4-chlorophenyl)-1-(cyclopropy…

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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) 4.90 15.91 -12.16 0 6 0 62 420.9 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(cyclopropylmethyl)-7-(o-tolylmethyl)purine-2,6-dione 3-(4-chlorophenyl)-1-(cyclopropy…

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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) 4.88 15.34 -11.17 0 6 0 62 420.9 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(cyclopropylmethyl)-7-[(3-fluorophenyl)methyl]purine-2,6-dione 3-(4-chlorophenyl)-1-(cyclopropy…

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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) 4.62 15.3 -15.69 0 6 0 62 424.863 5 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-1-(cyclopropylmethyl)-7-[(3,4-difluorophenyl)methyl]purine-2,6-dione 3-(4-chlorophenyl)-1-(cyclopropy…

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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) 4.74 15.36 -13.83 0 6 0 62 442.853 5 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)purine-2,6-dione 3-(3-chlorophenyl)-7-[(3-chlorop…

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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) 5.32 15.76 -15.38 0 6 0 62 441.318 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-1-(cyclopropylmethyl)-7-(o-tolylmethyl)purine-2,6-dione 3-(3-chlorophenyl)-1-(cyclopropy…

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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) 5.07 15.4 -12.44 0 6 0 62 420.9 5 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-7-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)purine-2,6-dione 1-(cyclopropylmethyl)-7-[(2-fluo…

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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) 4.16 14.06 -12.43 0 7 0 71 420.444 6 ↓

Analogs

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Popular Name: 7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-(3-methoxyphenyl)purine-2,6-dione 7-[(3-chlorophenyl)methyl]-1-(cy…

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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) 4.70 14.53 -14.64 0 7 0 71 436.899 6 ↓

Parameters Provided:

ring.id = 555332
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 = 555332 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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