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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,4-dimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide N,4-dimethyl-N-[[(2S)-tetrahydro…

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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) 1.00 4.62 -40.47 2 4 1 46 255.382 3 ↓

Analogs

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Popular Name: N,4-dimethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide N,4-dimethyl-N-[[(2R)-tetrahydro…

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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) 1.00 4.7 -41.99 2 4 1 46 255.382 3 ↓

Analogs

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Popular Name: 4-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-methyl-N-[[(2S)-tetrahydropyra…

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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) 1.08 2.98 -40.55 3 4 1 55 241.355 3 ↓

Analogs

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Popular Name: 4-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-methyl-N-[[(2R)-tetrahydropyra…

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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) 1.08 3.04 -40.27 3 4 1 55 241.355 3 ↓

Analogs

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Popular Name: 4-ethyl-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-ethyl-N-methyl-N-[[(2S)-tetrah…

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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) 1.33 5.32 -38.81 2 4 1 46 269.409 4 ↓

Analogs

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Popular Name: 4-ethyl-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-ethyl-N-methyl-N-[[(2R)-tetrah…

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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) 1.33 5.92 -39.23 2 4 1 46 269.409 4 ↓

Analogs

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Popular Name: N-methyl-4-propyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide N-methyl-4-propyl-N-[[(2S)-tetra…

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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) 1.89 5.91 -41.75 2 4 1 46 283.436 5 ↓

Analogs

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Popular Name: N-methyl-4-propyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide N-methyl-4-propyl-N-[[(2R)-tetra…

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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) 1.89 6.67 -39.42 2 4 1 46 283.436 5 ↓

Analogs

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Popular Name: 4-ethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-ethyl-N-[[(2S)-tetrahydropyran…

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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) 1.41 3.47 -39.34 3 4 1 55 255.382 4 ↓

Analogs

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Popular Name: 4-ethyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-ethyl-N-[[(2R)-tetrahydropyran…

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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) 1.41 3.46 -39.54 3 4 1 55 255.382 4 ↓

Analogs

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Popular Name: 4-propyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-propyl-N-[[(2S)-tetrahydropyra…

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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) 1.97 4.17 -42.18 3 4 1 55 269.409 5 ↓

Analogs

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Popular Name: 4-propyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 4-propyl-N-[[(2R)-tetrahydropyra…

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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) 1.97 4.27 -42.34 3 4 1 55 269.409 5 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 1-prop-2-ynyl-N-[[(2S)-tetrahydr…

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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) 1.26 3.72 -9.42 1 4 0 42 264.369 4 ↓
Mid Mid (pH 6-8) 1.26 5.99 -43.11 2 4 1 43 265.377 4 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide 1-prop-2-ynyl-N-[[(2R)-tetrahydr…

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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) 1.26 3.77 -9.22 1 4 0 42 264.369 4 ↓
Mid Mid (pH 6-8) 1.26 6.05 -42.84 2 4 1 43 265.377 4 ↓

Analogs

49058505
49058505
49058511
49058511
49058514
49058514
52157830
52157830
52157831
52157831

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide N-methyl-N-[[(2S)-tetrahydropyra…

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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) 0.75 5.21 -47.12 2 4 1 46 241.355 3 ↓

Analogs

49058505
49058505
49058511
49058511
49058514
49058514
52157830
52157830
52157831
52157831

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]piperidine-4-carboxamide N-methyl-N-[[(2R)-tetrahydropyra…

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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) 0.75 4.53 -45.37 2 4 1 46 241.355 3 ↓

Parameters Provided:

ring.id = 287591
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 = 287591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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