UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-ac N-(4-chlorophenyl)-2-[3-[2-(3,4-…

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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 -1.2 -16.01 1 7 0 71 461.971 8 ↓

Analogs

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Popular Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)-a 2-[3-[2-(3,4-dimethoxyphenyl)eth…

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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) 3.75 -1.05 -16.49 1 8 0 80 457.552 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-ac N-(4-chlorophenyl)-2-[3-[2-(3,4-…

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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 -1 -15.95 1 7 0 71 461.971 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)-a 2-[3-[2-(3,4-dimethoxyphenyl)eth…

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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) 3.75 -0.88 -16.22 1 8 0 80 457.552 9 ↓

Analogs

8817669
8817669

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Popular Name: methyl methyl

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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) 3.87 10.18 -19.75 1 9 0 97 485.562 10 ↓

Analogs

8817669
8817669

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Popular Name: methyl methyl

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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) 3.87 10.55 -19.47 1 9 0 97 485.562 10 ↓

Parameters Provided:

ring.id = 4749
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 = 4749 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4749&filter.purchasability=annotated

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