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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: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(4-methylsulfanylphenyl)-propanamide 3-(3-butyl-2,6-dioxo-7-pentyl-pu…

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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) 4.22 -1.93 -14.87 2 8 0 102 471.627 12 ↓
Mid Mid (pH 6-8) 4.22 -1.71 -49.78 3 8 1 103 472.635 12 ↓

Analogs

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Popular Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-ethyl-N-(o-tolyl)propanamide 3-(3-butyl-2,6-dioxo-7-pentyl-pu…

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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) 4.14 14.35 -13.52 1 8 0 93 467.614 12 ↓

Analogs

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Popular Name: N-allyl-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-phenyl-propanamide N-allyl-3-(3-butyl-2,6-dioxo-7-p…

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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) 4.01 13.91 -12.78 1 8 0 93 465.598 13 ↓

Analogs

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Popular Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3,5-dimethoxyphenyl)propanamide 3-(3-butyl-2,6-dioxo-7-pentyl-pu…

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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) 3.83 9.36 -18.26 2 10 0 120 485.585 13 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.31 12.27 -22.51 2 10 0 128 497.596 14 ↓

Analogs

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Popular Name: 3-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]-N-ethyl-benzamide 3-[3-(3-butyl-2,6-dioxo-7-pentyl…

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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) 3.33 9.87 -22.9 3 10 0 131 496.612 13 ↓
Mid Mid (pH 6-8) 3.33 10.32 -54.03 4 10 1 132 497.62 13 ↓

Parameters Provided:

ring.id = 84179
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 = 84179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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