UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-ethylsulfonyl-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-4-carboxamide 1-ethylsulfonyl-N-[2-(p-tolylmet…

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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) 2.54 7.03 -21 1 5 0 66 384.567 8 ↓

Analogs

39749221
39749221
39752571
39752571
39755453
39755453
39758161
39758161

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Popular Name: 1-(2,2-dimethylpropanoyl)-N-[2-(p-tolylmethylsulfanyl)ethyl]piperidine-4-carboxamide 1-(2,2-dimethylpropanoyl)-N-[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) 3.81 9.88 -18.78 1 4 0 49 376.566 7 ↓

Analogs

39744201
39744201
39750785
39750785
39753595
39753595
39754966
39754966
39757385
39757385

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Popular Name: 1-(2,2-dimethylpropanoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide 1-(2,2-dimethylpropanoyl)-N-[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) 3.48 9.3 -16.54 1 4 0 49 380.529 7 ↓

Analogs

39749221
39749221
39752571
39752571
39755453
39755453
39758161
39758161

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Popular Name: N-(2-benzylsulfanylethyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide N-(2-benzylsulfanylethyl)-1-(2,2…

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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) 3.37 9.28 -15.66 1 4 0 49 362.539 7 ↓

Parameters Provided:

ring.id = 143060
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 = 143060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=143060&filter.purchasability=annotated

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