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

842288
842288

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Popular Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione 8-[(E)-3-chlorobut-2-enyl]sulfan…

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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) 3.52 11.22 -9.5 1 6 0 73 404.923 7 ↓
Mid Mid (pH 6-8) 3.52 11.68 -42.52 2 6 1 74 405.931 7 ↓

Analogs

4225886
4225886
12648057
12648057

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Popular Name: 8-butylamino-3-methyl-7-(3-phenylpropyl)purine-2,6-dione 8-butylamino-3-methyl-7-(3-pheny…

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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) 2.99 10.97 -11.17 2 7 0 85 355.442 8 ↓
Mid Mid (pH 6-8) 2.99 11.39 -41.09 3 7 1 86 356.45 8 ↓

Analogs

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Popular Name: 1,3-dimethyl-7-[(1S)-1-methyl-3-phenyl-propyl]purine-2,6-dione 1,3-dimethyl-7-[(1S)-1-methyl-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) 2.75 10.64 -11.68 0 6 0 62 312.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-7-[(1R)-1-methyl-3-phenyl-propyl]purine-2,6-dione 1,3-dimethyl-7-[(1R)-1-methyl-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) 2.75 10.63 -11.69 0 6 0 62 312.373 4 ↓

Parameters Provided:

ring.id = 106059
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 = 106059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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