UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5779921
5779921

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(3-chloro-4-methoxy-phenyl)-2-…

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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) 3.27 -0.28 -20.61 1 5 0 63 400.887 6 ↓

Analogs

5779919
5779919

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(3-chloro-4-methoxy-phenyl)-2-…

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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) 3.27 -0.27 -24.07 1 5 0 63 400.887 6 ↓

Analogs

5779924
5779924

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Popular Name: N-(2-ethoxyphenyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(2-ethoxyphenyl)-2-[(1-oxido-2…

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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 -0.01 -22.32 1 5 0 63 380.469 7 ↓

Analogs

5779923
5779923

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Popular Name: N-(2-ethoxyphenyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(2-ethoxyphenyl)-2-[(1-oxido-2…

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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 0 -23.1 1 5 0 63 380.469 7 ↓

Analogs

11539168
11539168

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Popular Name: N-(4-methoxyphenyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(4-methoxyphenyl)-2-[(1-oxido-…

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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) 2.66 9.16 -22.03 1 5 0 64 366.442 6 ↓

Analogs

11539167
11539167

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Popular Name: N-(4-methoxyphenyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(4-methoxyphenyl)-2-[(1-oxido-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.66 9.14 -21.99 1 5 0 64 366.442 6 ↓

Parameters Provided:

ring.id = 2579
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 = 2579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2579&filter.purchasability=annotated

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