UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5779903
5779903

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Popular Name: N-(m-tolyl)-N-[4-[(1-oxido-2-pyridyl)sulfanylmethyl]thiazol-2-yl]-acetamide N-(m-tolyl)-N-[4-[(1-oxido-2-pyr…

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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) 2.69 0.69 -30.96 0 5 0 58 371.487 5 ↓

Analogs

5779893
5779893

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Popular Name: N-(3,4-dimethylphenyl)-N-[4-[(1-oxido-2-pyridyl)sulfanylmethyl]thiazol-2-yl]-acetamide N-(3,4-dimethylphenyl)-N-[4-[(1-…

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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) 3.10 11.23 -31.42 0 5 0 59 385.514 5 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-N-[4-[(1-oxido-2-pyridyl)sulfanylmethyl]thiazol-2-yl]-acetamide N-(2-methoxyphenyl)-N-[4-[(1-oxi…

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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) 2.28 0.57 -34.34 0 6 0 67 387.486 6 ↓

Parameters Provided:

ring.id = 2571
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 = 2571 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2571&filter.purchasability=annotated

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