UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methyl-(2-naphthylsulfonyl)amino)acetamide N-[(1R)-1-(2-methoxyphenyl)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) 4.01 7.53 -16.15 1 6 0 76 412.511 7 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(methyl-(2-naphthylsulfonyl)amino)acetamide N-[(1S)-1-(2-methoxyphenyl)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) 4.01 7.54 -15.95 1 6 0 76 412.511 7 ↓

Analogs

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Popular Name: (2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2R)-N-[(2-fluorophenyl)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) 3.92 7.36 -19.61 2 5 0 75 414.502 7 ↓

Analogs

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Popular Name: (2S)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2S)-N-[(2-fluorophenyl)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) 3.92 7.47 -14.82 2 5 0 75 414.502 7 ↓

Analogs

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Popular Name: (2S)-3-methyl-2-(2-naphthylsulfonylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide (2S)-3-methyl-2-(2-naphthylsulfo…

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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) 3.44 6.2 -17.39 2 8 0 103 486.59 10 ↓

Analogs

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Popular Name: (2R)-3-methyl-2-(2-naphthylsulfonylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide (2R)-3-methyl-2-(2-naphthylsulfo…

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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) 3.44 5.87 -21.68 2 8 0 103 486.59 10 ↓

Analogs

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Popular Name: (2R)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2R)-N-[(4-dimethylaminophenyl)m…

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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) 3.91 7.76 -18.44 2 6 0 79 439.581 8 ↓

Analogs

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Popular Name: (2S)-N-[(4-dimethylaminophenyl)methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2S)-N-[(4-dimethylaminophenyl)m…

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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) 3.91 7.91 -14.69 2 6 0 79 439.581 8 ↓

Analogs

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Popular Name: (2S)-3-methyl-2-(2-naphthylsulfonylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (2S)-3-methyl-2-(2-naphthylsulfo…

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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) 3.44 6.57 -18.68 2 8 0 103 486.59 10 ↓

Analogs

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Popular Name: (2R)-3-methyl-2-(2-naphthylsulfonylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (2R)-3-methyl-2-(2-naphthylsulfo…

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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) 3.44 6.68 -18.65 2 8 0 103 486.59 10 ↓

Analogs

25378363
25378363
25378370
25378370
25396748
25396748
25396753
25396753

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Popular Name: (2R)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2R)-N-[[2-(dimethylaminomethyl)…

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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) 3.56 9.55 -44.16 3 6 1 80 454.616 9 ↓

Analogs

25378363
25378363
25378370
25378370
25396748
25396748
25396753
25396753

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Popular Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2S)-N-[[2-(dimethylaminomethyl)…

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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) 3.56 9.66 -49.23 3 6 1 80 454.616 9 ↓

Analogs

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Popular Name: (2R)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2R)-N-[[4-(difluoromethoxy)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) 4.42 6.85 -19.8 2 6 0 85 462.518 9 ↓

Analogs

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Popular Name: (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2S)-N-[[4-(difluoromethoxy)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) 4.42 7 -16.72 2 6 0 85 462.518 9 ↓

Analogs

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Popular Name: (2R)-N-[(4-fluoro-3-methyl-phenyl)methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2R)-N-[(4-fluoro-3-methyl-pheny…

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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) 4.34 8.24 -14.63 2 5 0 75 428.529 7 ↓

Analogs

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Popular Name: (2S)-N-[(4-fluoro-3-methyl-phenyl)methyl]-3-methyl-2-(2-naphthylsulfonylamino)butanamide (2S)-N-[(4-fluoro-3-methyl-pheny…

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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) 4.34 8.27 -15.09 2 5 0 75 428.529 7 ↓

Analogs

25051538
25051538
25081601
25081601

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(methyl-(2-naphthylsulfonyl)amino)acetamide N-[(3,4-dimethoxyphenyl)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) 3.09 6.5 -17.16 1 7 0 85 428.51 8 ↓

Analogs

16188586
16188586

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Popular Name: N-methyl-2-(methyl-(2-naphthylsulfonyl)amino)-N-(p-tolylmethyl)acetamide N-methyl-2-(methyl-(2-naphthylsu…

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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) 3.63 10.04 -14.28 0 5 0 58 396.512 6 ↓

Parameters Provided:

ring.id = 40272
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 = 40272 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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