UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40121175
40121175
40121302
40121302
44909165
44909165
44955627
44955627
45299671
45299671

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Popular Name: [4-(1-piperidyl)-1-piperidyl]-[2-(2,2,2-trifluoroethoxy)-3-pyridyl]methanone [4-(1-piperidyl)-1-piperidyl]-[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) 2.27 7.72 -46.52 1 5 1 47 372.411 5 ↓

Analogs

40556174
40556174
41926884
41926884
42137021
42137021
47829185
47829185
49520088
49520088

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Popular Name: (2-methylsulfanyl-3-pyridyl)-[4-(1-piperidyl)-1-piperidyl]methanone (2-methylsulfanyl-3-pyridyl)-[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) 1.88 8.69 -44.25 1 4 1 38 320.482 3 ↓

Analogs

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Popular Name: (2-pentylsulfanyl-3-pyridyl)-[4-(1-piperidyl)-1-piperidyl]methanone (2-pentylsulfanyl-3-pyridyl)-[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) 3.83 11.92 -43.99 1 4 1 38 376.59 7 ↓

Analogs

47829185
47829185
57167652
57167652
58202911
58202911
6946020
6946020

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Popular Name: [4-(1-piperidyl)-1-piperidyl]-(2-propylsulfanyl-3-pyridyl)methanone [4-(1-piperidyl)-1-piperidyl]-(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) 2.76 10.36 -44 1 4 1 38 348.536 5 ↓

Analogs

42760906
42760906
43905662
43905662
48299153
48299153
48325866
48325866
21663476
21663476

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Popular Name: [4-(1-piperidyl)-1-piperidyl]-(6-propylsulfanyl-3-pyridyl)methanone [4-(1-piperidyl)-1-piperidyl]-(6…

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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) 2.81 10.32 -43.71 1 4 1 38 348.536 5 ↓

Parameters Provided:

ring.id = 602868
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 = 602868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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