UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39230916
39230916
39260290
39260290

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-(2,3,4,5,6-pentafluorophenyl)acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.68 11.55 -14.77 1 4 0 55 461.415 5 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-3-methoxy…

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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) 5.35 10.61 -20.64 1 6 0 73 467.497 8 ↓

Analogs

39261042
39261042

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 6.12 10.93 -15.09 1 5 0 64 455.461 7 ↓

Analogs

39261042
39261042

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Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)phenyl]-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) 5.76 10.72 -17.61 1 5 0 64 437.471 7 ↓

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-(2,6-dichlorophenyl)-2-[[4-(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) 6.41 12.52 -15.82 1 4 0 55 440.355 5 ↓

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-(2,3-dimethylphenyl)-2-[[4-(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) 5.95 -0.42 -15.89 1 4 0 54 399.519 5 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)-2-methyl-phenyl]-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-2-methyl-…

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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) 6.14 11.57 -19.44 1 5 0 64 451.498 7 ↓

Analogs

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Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-[3-chloro-4-(difluoromethoxy)p…

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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) 6.37 11.27 -18.8 1 5 0 64 471.916 7 ↓

Analogs

39260290
39260290

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-(2,3,5,6-tetrafluorophenyl)acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.59 11.48 -15.86 1 4 0 55 443.425 5 ↓

Analogs

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-phenyl-acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.15 -1.19 -15.8 1 4 0 54 371.465 5 ↓

Analogs

5154824
5154824

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.08 11.8 -16.74 1 7 0 101 416.462 6 ↓

Analogs

39259907
39259907
39260876
39260876

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-p-phenetyl-acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.58 -1.17 -17.22 1 5 0 64 415.518 7 ↓

Analogs

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-(p-tolyl)acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.60 -0.87 -15.83 1 4 0 54 385.492 5 ↓

Analogs

39259910
39259910

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Popular Name: N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-3-ethoxy-…

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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) 5.73 11.53 -20.41 1 6 0 73 481.524 9 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-(2-methoxyphenyl)-2-[[4-(2-nap…

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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) 5.16 -1.06 -15.38 1 5 0 64 401.491 6 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]acetamide N-(5-chloro-2-methyl-phenyl)-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) 6.20 12.5 -16.93 1 4 0 55 419.937 5 ↓

Analogs

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Popular Name: 2-[[4-(2-naphthyl)pyrimidin-2-yl]thio]-N-(o-tolyl)acetamide 2-[[4-(2-naphthyl)pyrimidin-2-yl…

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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) 5.55 -0.65 -15.7 1 4 0 54 385.492 5 ↓

Parameters Provided:

ring.id = 243532
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 = 243532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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