UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814372
11814372

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Popular Name: (3-fluoro-4-methoxy-phenyl)-[(3R)-1-(2-methoxypyridine-3-carbonyl)-3-piperidyl]methanone (3-fluoro-4-methoxy-phenyl)-[(3R…

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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) 2.08 6.18 -16.24 0 6 0 69 372.396 5 ↓

Analogs

11814371
11814371

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Popular Name: (3-fluoro-4-methoxy-phenyl)-[(3S)-1-(2-methoxypyridine-3-carbonyl)-3-piperidyl]methanone (3-fluoro-4-methoxy-phenyl)-[(3S…

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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) 2.08 0.31 -16.34 0 6 0 69 372.396 5 ↓

Analogs

11817551
11817551

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Popular Name: (4-methoxy-2-methyl-phenyl)-[(3R)-1-(2-methylsulfanylpyridine-3-carbonyl)-3-piperidyl]methanone (4-methoxy-2-methyl-phenyl)-[(3R…

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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) 2.91 9.13 -13.01 0 5 0 60 384.501 5 ↓

Analogs

11817550
11817550

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Popular Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-(2-methylsulfanylpyridine-3-carbonyl)-3-piperidyl]methanone (4-methoxy-2-methyl-phenyl)-[(3S…

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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) 2.91 0.33 -12.85 0 5 0 60 384.501 5 ↓

Analogs

11841893
11841893

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Popular Name: [(3R)-3-(3-methoxybenzoyl)-1-piperidyl]-(6-methyl-3-pyridyl)methanone [(3R)-3-(3-methoxybenzoyl)-1-pip…

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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) 1.67 0.4 -13.29 0 5 0 60 338.407 4 ↓

Analogs

11841892
11841892

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Popular Name: [(3S)-3-(3-methoxybenzoyl)-1-piperidyl]-(6-methyl-3-pyridyl)methanone [(3S)-3-(3-methoxybenzoyl)-1-pip…

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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) 1.67 0.41 -13.1 0 5 0 60 338.407 4 ↓

Analogs

11844192
11844192
39307875
39307875
39307877
39307877

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Popular Name: (2,6-dimethoxy-3-pyridyl)-[(3S)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]methanone (2,6-dimethoxy-3-pyridyl)-[(3S)-…

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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) 2.77 -1.51 -12.41 0 6 0 69 400.5 6 ↓

Analogs

39307875
39307875
39307877
39307877
11844191
11844191

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Popular Name: (2,6-dimethoxy-3-pyridyl)-[(3R)-3-(4-methylsulfanylbenzoyl)-1-piperidyl]methanone (2,6-dimethoxy-3-pyridyl)-[(3R)-…

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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) 2.77 -1.36 -12.82 0 6 0 69 400.5 6 ↓

Parameters Provided:

ring.id = 47321
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 = 47321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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