UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40163040
40163040

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Popular Name: 1-(Azocan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one 1-(Azocan-1-yl)-3-(3,4,5-trimeth…

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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) 3.56 2.68 -13.14 0 5 0 48 333.428 5 ↓

Analogs

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Popular Name: N-[(Z)-1-(azocane-1-carbonyl)-2-phenyl-vinyl]acetamide N-[(Z)-1-(azocane-1-carbonyl)-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) 3.19 10.79 -17.13 1 4 0 49 300.402 3 ↓

Analogs

42882916
42882916
42883050
42883050

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Popular Name: 4-[(E)-3-(azocan-1-yl)-3-oxo-prop-1-enyl]-N-ethyl-benzenesulfonamide 4-[(E)-3-(azocan-1-yl)-3-oxo-pro…

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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) 3.38 6.54 -14.49 1 5 0 66 350.484 5 ↓

Parameters Provided:

ring.id = 126
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 = 126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=126&filter.purchasability=annotated

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