UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27527409
27527409

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Popular Name: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[(2-hydroxyphenyl)methyleneamino]acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-…

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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) 1.08 -1.52 -28.25 2 10 0 123 356.342 4 ↓

Analogs

33039589
33039589

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Popular Name: N-[(5-chloro-2-hydroxy-phenyl)methyleneamino]-2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-acetamide N-[(5-chloro-2-hydroxy-phenyl)me…

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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) 1.73 5.51 -29.14 2 10 0 124 390.787 4 ↓
Hi High (pH 8-9.5) 1.73 6.28 -64.69 1 10 -1 126 389.779 4 ↓

Analogs

30956025
30956025
33039585
33039585
267870
267870

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Popular Name: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(p-tolylmethyleneamino)acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-…

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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) 1.58 -0.24 -29.29 1 9 0 103 354.37 4 ↓

Analogs

30956020
30956020
33039594
33039594

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Popular Name: 2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[(3-methoxyphenyl)methyleneamino]acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-…

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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) 1.17 -0.52 -29.45 1 10 0 112 370.369 5 ↓

Analogs

30956037
30956037

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Popular Name: N-[(2-chlorophenyl)methyleneamino]-2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-acetamide N-[(2-chlorophenyl)methyleneamin…

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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) 1.77 -0.53 -30.62 1 9 0 103 374.788 4 ↓

Parameters Provided:

ring.id = 250569
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 = 250569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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