UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 2-[2-(azocan-1-yl)-2-oxo-ethyl]s…

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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) 2.43 8.48 -58.1 0 5 -1 73 307.395 4 ↓

Analogs

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Popular Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-(azocan-1-yl)-2-oxo-ethyl]s…

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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) 2.77 8.57 -50.95 0 5 -1 73 307.395 4 ↓

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-1-(azocan-1-yl)ethanone 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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) 2.34 5.99 -9.44 2 4 0 59 279.409 3 ↓

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-1-(azocan-1-yl)ethanone 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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) 2.56 5.9 -9.99 2 4 0 59 279.409 3 ↓

Analogs

217942
217942

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Popular Name: 6-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic 6-[2-(azocan-1-yl)-2-oxo-ethyl]s…

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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) 2.48 8.57 -46.71 0 5 -1 73 307.395 4 ↓

Parameters Provided:

ring.id = 125710
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 = 125710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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