UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5780158
5780158
39588756
39588756
39588758
39588758
44508134
44508134
44508136
44508136

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Popular Name: 3-[(1-oxido-2-pyridyl)sulfanylmethyl]benzonitrile 3-[(1-oxido-2-pyridyl)sulfanylme…

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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) 1.55 8.3 -27.06 0 3 0 49 242.303 3 ↓

Analogs

5780208
5780208

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Popular Name: N-(ethylcarbamoyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(ethylcarbamoyl)-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) 0.94 7.19 -27.76 2 6 0 84 331.397 5 ↓

Analogs

5780207
5780207

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Popular Name: N-(ethylcarbamoyl)-2-[(1-oxido-2-pyridyl)sulfanyl]-2-phenyl-acetamide N-(ethylcarbamoyl)-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) 0.94 7.19 -27.95 2 6 0 84 331.397 5 ↓

Analogs

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Popular Name: 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylsulfanyl]-1-oxido-pyridin-1-ium 2-[[5-bromo-2-(difluoromethoxy)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) 3.17 8.17 -24.95 0 3 0 35 362.195 5 ↓

Analogs

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Popular Name: 2-[(3-bromo-4-fluoro-phenyl)methylsulfanyl]-1-oxido-pyridin-1-ium 2-[(3-bromo-4-fluoro-phenyl)meth…

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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) 2.72 8.56 -24.35 0 2 0 25 314.179 3 ↓

Analogs

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Popular Name: 2-[(5-fluoro-2-nitro-phenyl)methylsulfanyl]-1-oxido-pyridin-1-ium 2-[(5-fluoro-2-nitro-phenyl)meth…

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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) 1.87 8.57 -26.18 0 5 0 71 280.28 4 ↓

Parameters Provided:

ring.id = 2604
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 = 2604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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