UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[1-[(E)-2-methylbut-2-enyl]-4-piperidyl]methyl]pyridine-3-sulfonamide N-[[1-[(E)-2-methylbut-2-enyl]-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) 2.18 5.52 -43.94 2 5 1 63 324.47 6 ↓
Hi High (pH 8-9.5) 2.18 3.32 -10.06 1 5 0 62 323.462 6 ↓

Analogs

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Popular Name: 6-nitro-N-(4-piperidylmethyl)pyridine-3-sulfonamide 6-nitro-N-(4-piperidylmethyl)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) 0.44 2.41 -52.86 3 8 1 121 301.348 5 ↓
Hi High (pH 8-9.5) 0.44 2.01 -52.59 2 8 0 124 300.34 5 ↓

Analogs

41684686
41684686
41684691
41684691
36880828
36880828
6548204
6548204

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]pyridine-3-sulfonamide N-[(1-isopropyl-4-piperidyl)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) 1.41 4.11 -42.3 2 5 1 63 298.432 5 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]pyridine-3-sulfonamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 0.72 2.76 -43.81 2 6 1 73 314.431 7 ↓

Parameters Provided:

ring.id = 484837
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 = 484837 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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