UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11998141
11998141

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Popular Name: N-[(2S)-2-(1-piperidyl)-2-(p-tolyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(1-piperidyl)-2-(p-tol…

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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) 3.03 -4.08 -54.28 2 7 1 88 456.588 6 ↓

Analogs

11998137
11998137

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Popular Name: N-[(2R)-2-(1-piperidyl)-2-(p-tolyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(1-piperidyl)-2-(p-tol…

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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) 3.03 -3.86 -54.35 2 7 1 88 456.588 6 ↓

Analogs

11998625
11998625

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Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperidyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benz N-[(2S)-2-(4-methoxyphenyl)-2-(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) 2.88 -3.81 -58.17 2 8 1 97 486.614 7 ↓

Analogs

11998622
11998622

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Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperidyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benz N-[(2R)-2-(4-methoxyphenyl)-2-(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) 2.88 -3.04 -56.94 2 8 1 97 486.614 7 ↓

Parameters Provided:

ring.id = 68785
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 = 68785 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68785&filter.purchasability=annotated

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