UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-N-[2-(3-bromophenyl)-2-methyl-propyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(3-bromophenyl)-2-meth…

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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) 2.61 6.15 -10.46 1 4 0 48 342.233 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(3-bromophenyl)-2-methyl-propyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(3-bromophenyl)-2-meth…

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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) 2.61 6.15 -10.47 1 4 0 48 342.233 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-bromophenyl)-1,1-dimethyl-ethyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(4-bromophenyl)-1,1-di…

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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) 2.47 5.88 -11.43 1 4 0 48 342.233 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-bromophenyl)-1,1-dimethyl-ethyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(4-bromophenyl)-1,1-di…

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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) 2.47 5.88 -11.44 1 4 0 48 342.233 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-nitrophenyl)ethyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(4-nitrophenyl)ethyl]-…

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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) 0.81 5.18 -17.64 1 7 0 93 280.28 5 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-nitrophenyl)ethyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(4-nitrophenyl)ethyl]-…

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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) 0.81 5.18 -17.64 1 7 0 93 280.28 5 ↓

Analogs

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Popular Name: (2S)-N-[2-(2,6-dichlorophenyl)ethyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(2,6-dichlorophenyl)et…

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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) 2.11 5.31 -11.26 1 4 0 48 304.173 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(2,6-dichlorophenyl)ethyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(2,6-dichlorophenyl)et…

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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) 2.11 5.31 -11.26 1 4 0 48 304.173 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(3,5-dichlorophenyl)ethyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(3,5-dichlorophenyl)et…

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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) 2.14 5.47 -12.33 1 4 0 48 304.173 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(3,5-dichlorophenyl)ethyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(3,5-dichlorophenyl)et…

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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) 2.14 5.47 -12.34 1 4 0 48 304.173 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(3-bromo-4-fluoro-phenyl)ethyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(3-bromo-4-fluoro-phen…

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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) 1.75 5.12 -14.25 1 4 0 48 332.169 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(3-bromo-4-fluoro-phenyl)ethyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(3-bromo-4-fluoro-phen…

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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) 1.75 5.12 -14.26 1 4 0 48 332.169 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(2-chlorophenyl)ethyl]-1,4-dioxane-2-carboxamide (2S)-N-[2-(2-chlorophenyl)ethyl]…

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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) 1.48 4.88 -12.11 1 4 0 48 269.728 4 ↓

Analogs

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Popular Name: (2R)-N-[2-(2-chlorophenyl)ethyl]-1,4-dioxane-2-carboxamide (2R)-N-[2-(2-chlorophenyl)ethyl]…

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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) 1.48 4.88 -11.9 1 4 0 48 269.728 4 ↓

Parameters Provided:

ring.id = 49112
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 = 49112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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