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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-N-(4-fluorophenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-fluorophenyl)-N'-phene…

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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) 3.15 8.33 -18.51 2 5 0 61 355.413 5 ↓

Analogs

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Popular Name: (2S)-N-(4-fluorophenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-fluorophenyl)-N'-phene…

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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) 3.15 8.36 -18.78 2 5 0 61 355.413 5 ↓

Analogs

34952297
34952297
34952298
34952298
34952301
34952301
34952302
34952302
34952305
34952305

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Popular Name: (2R)-N-(4-chlorophenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-chlorophenyl)-N'-phene…

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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) 3.67 8.79 -18.02 2 5 0 61 371.868 5 ↓

Analogs

34952297
34952297
34952298
34952298
34952301
34952301
34952302
34952302
34952305
34952305

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chlorophenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-chlorophenyl)-N'-phene…

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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) 3.67 8.81 -18.28 2 5 0 61 371.868 5 ↓

Analogs

34952778
34952778
34952779
34952779
34971066
34971066
34971074
34971074
34976019
34976019

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Popular Name: (2S)-N-(2-methoxyphenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-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) 3.00 7.67 -19.72 2 6 0 71 367.449 6 ↓

Analogs

34952778
34952778
34952779
34952779
34971066
34971066
34971074
34971074
34976019
34976019

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Popular Name: (2R)-N-(2-methoxyphenyl)-N'-phenethyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-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) 3.00 7.73 -19.43 2 6 0 71 367.449 6 ↓

Analogs

34952297
34952297
34952298
34952298
34952301
34952301
34952302
34952302
34952305
34952305

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Popular Name: (2R)-N'-[2-(4-chlorophenyl)ethyl]-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-[2-(4-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) 3.83 8.85 -18.74 2 5 0 61 389.858 5 ↓

Analogs

34952297
34952297
34952298
34952298
34952301
34952301
34952302
34952302
34952305
34952305

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N'-[2-(4-chlorophenyl)ethyl]-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-[2-(4-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) 3.83 8.88 -18.97 2 5 0 61 389.858 5 ↓

Analogs

4589072
4589072
4589075
4589075
34952267
34952267
34952268
34952268
34953041
34953041

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Popular Name: (2S)-N'-phenethyl-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-phenethyl-N-(p-tolyl)pyr…

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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 8.95 -19.05 2 5 0 61 351.45 5 ↓

Analogs

4589072
4589072
4589075
4589075
34952267
34952267
34952268
34952268
34953041
34953041

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Popular Name: (2R)-N'-phenethyl-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-phenethyl-N-(p-tolyl)pyr…

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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 8.96 -18.89 2 5 0 61 351.45 5 ↓

Analogs

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Popular Name: (2S)-N2-[(1R)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N2-[(1R)-2-(2,4-dimethylphe…

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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) 4.14 10.28 -20.46 2 5 0 61 379.504 5 ↓

Analogs

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Popular Name: (2S)-N2-[(1S)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N2-[(1S)-2-(2,4-dimethylphe…

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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) 4.14 10.36 -18.73 2 5 0 61 379.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-[(1R)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N2-[(1R)-2-(2,4-dimethylphe…

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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) 4.14 10.26 -18.14 2 5 0 61 379.504 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-[(1S)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N2-[(1S)-2-(2,4-dimethylphe…

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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) 4.14 10.33 -19.67 2 5 0 61 379.504 5 ↓

Parameters Provided:

ring.id = 225506
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 = 225506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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