UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5780138
5780138

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Popular Name: 1-oxido-2-[(2-phenylthiazol-4-yl)methylsulfanyl]pyridine 1-oxido-2-[(2-phenylthiazol-4-yl…

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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) 2.90 -0.72 -25.35 0 3 0 38 300.408 4 ↓

Analogs

5779978
5779978

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Popular Name: 1-oxido-2-[[2-(p-tolyl)thiazol-4-yl]methylsulfanyl]pyridine 1-oxido-2-[[2-(p-tolyl)thiazol-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) 3.35 -0.4 -25.17 0 3 0 38 314.435 4 ↓

Analogs

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Popular Name: 2-[[2-(4-isopropylphenyl)thiazol-4-yl]methylsulfanyl]-1-oxido-pyridine 2-[[2-(4-isopropylphenyl)thiazol…

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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) 4.42 0.08 -24.68 0 3 0 38 342.489 5 ↓

Analogs

39588759
39588759

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Popular Name: 2-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-1-oxido-pyridine 2-[[2-(2,3-dimethoxyphenyl)thiaz…

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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) 2.73 -0.01 -29.07 0 5 0 56 360.46 6 ↓

Analogs

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Popular Name: 4-[4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]thiazol-2-yl]benzamide 4-[4-[(1-oxidopyridin-1-ium-2-yl…

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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) 1.72 5.54 -31 2 5 0 81 343.433 5 ↓

Parameters Provided:

ring.id = 2593
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 = 2593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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