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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-6-methyl-2-(4-piperidyl)pyridine-3-carboxamide N-(2-dimethylaminoethyl)-6-methy…

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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) 0.19 5.17 -87.69 4 5 2 63 292.427 5 ↓

Analogs

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Popular Name: N,N,6-trimethyl-2-(4-piperidyl)pyridine-3-carboxamide N,N,6-trimethyl-2-(4-piperidyl)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) -0.07 4.74 -40.18 2 4 1 50 248.35 2 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-6-methyl-2-(4-piperidyl)pyridine-3-carboxamide N-[3-(dimethylamino)propyl]-6-me…

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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) 0.46 5.97 -85.83 4 5 2 63 306.454 6 ↓

Analogs

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Popular Name: N,6-dimethyl-2-[1-(3-methylbutanoyl)-4-piperidyl]pyridine-3-carboxamide N,6-dimethyl-2-[1-(3-methylbutan…

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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) 1.73 6.4 -12.75 1 5 0 62 317.433 4 ↓

Analogs

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Popular Name: N-ethyl-6-methyl-2-(1-propanoyl-4-piperidyl)pyridine-3-carboxamide N-ethyl-6-methyl-2-(1-propanoyl-…

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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 5.88 -14.31 1 5 0 62 303.406 4 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-6-methyl-2-[1-(3-methylbutanoyl)-4-piperidyl]pyridine-3-carboxamide N-(2-dimethylaminoethyl)-6-methy…

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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) 1.76 8.54 -49.91 2 6 1 67 375.537 7 ↓

Analogs

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Popular Name: N,N,6-trimethyl-2-[1-(3-methylbutanoyl)-4-piperidyl]pyridine-3-carboxamide N,N,6-trimethyl-2-[1-(3-methylbu…

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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) 1.50 8.08 -12.83 0 5 0 54 331.46 4 ↓
Lo Low (pH 4.5-6) 1.50 8.42 -39.82 1 5 1 55 332.468 4 ↓

Analogs

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Popular Name: 2-[1-(2-methoxyacetyl)-4-piperidyl]-N,N,6-trimethyl-pyridine-3-carboxamide 2-[1-(2-methoxyacetyl)-4-piperid…

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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) -0.17 6.08 -16.37 0 6 0 63 319.405 4 ↓
Lo Low (pH 4.5-6) -0.17 6.44 -43.57 1 6 1 64 320.413 4 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-6-methyl-2-[1-(2-methylpropanoyl)-4-piperidyl]pyridine-3-carboxamide N-[3-(dimethylamino)propyl]-6-me…

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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) 1.50 8.33 -52.06 2 6 1 67 375.537 7 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-6-methyl-2-(1-propanoyl-4-piperidyl)pyridine-3-carboxamide N-[3-(dimethylamino)propyl]-6-me…

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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) 1.25 7.95 -51.9 2 6 1 67 361.51 7 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-2-[1-(2-methoxyacetyl)-4-piperidyl]-6-methyl-pyridine-3-carboxamide N-[3-(dimethylamino)propyl]-2-[1…

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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) 0.36 7.34 -53.16 2 7 1 76 377.509 8 ↓

Analogs

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Popular Name: 2-(4-methyl-4-piperidyl)pyridine 2-(4-methyl-4-piperidyl)pyridine

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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) 1.20 4.58 -39.74 2 2 1 29 177.271 1 ↓
Lo Low (pH 4.5-6) 1.20 4.76 -88.21 3 2 2 31 178.279 1 ↓

Analogs

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Popular Name: 4-(5-Nitropyridin-2-yl)piperidine 4-(5-Nitropyridin-2-yl)piperidine

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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) 0.70 4.77 -51.29 2 5 1 75 208.241 2 ↓

Analogs

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Popular Name: N-[(1R)-2-[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]-1-methyl-2-oxo-ethyl]methanesulfonamide N-[(1R)-2-[4-hydroxy-4-(5-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) -0.14 -0.3 -23.23 2 7 0 100 341.433 4 ↓
Lo Low (pH 4.5-6) -0.14 0.22 -46.82 3 7 1 101 342.441 4 ↓

Analogs

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Popular Name: N-[(1S)-2-[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]-1-methyl-2-oxo-ethyl]methanesulfonamide N-[(1S)-2-[4-hydroxy-4-(5-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) -0.14 -0.19 -19.71 2 7 0 100 341.433 4 ↓
Lo Low (pH 4.5-6) -0.14 0.29 -49.55 3 7 1 101 342.441 4 ↓

Parameters Provided:

ring.id = 44005
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 = 44005 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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