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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-(4-methyl-1-piperidyl)methanone (7-tert-butylpyrazolo[1,5-a]pyri…

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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) 2.56 8.44 -16.06 0 5 0 51 300.406 2 ↓

Analogs

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Popular Name: (4-ethoxy-1-piperidyl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (4-ethoxy-1-piperidyl)-(2,5,7-tr…

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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) 0.37 7.32 -16.26 0 6 0 60 316.405 3 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(1S)-1-hydroxypropyl]-1-piperidyl]methanon [6-(diethylaminomethyl)pyrazolo[…

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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) 1.01 7.29 -55.28 2 7 1 75 374.509 7 ↓
Mid Mid (pH 6-8) 1.01 5.12 -16.33 1 7 0 74 373.501 7 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-[(1R)-1-hydroxypropyl]-1-piperidyl]methanon [6-(diethylaminomethyl)pyrazolo[…

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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) 1.01 7.27 -54.9 2 7 1 75 374.509 7 ↓
Mid Mid (pH 6-8) 1.01 5.1 -16.33 1 7 0 74 373.501 7 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(hydroxymethyl)-1-piperidyl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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 5.71 -57.58 2 7 1 75 346.455 6 ↓
Mid Mid (pH 6-8) 0.14 3.64 -19.47 1 7 0 74 345.447 6 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-(hydroxymethyl)-1-piperidyl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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 5.74 -55.3 2 7 1 75 346.455 6 ↓
Mid Mid (pH 6-8) 0.14 3.68 -17.52 1 7 0 74 345.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-hydroxy-1-piperidyl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) -0.24 5.07 -55.33 2 7 1 75 332.428 5 ↓
Mid Mid (pH 6-8) -0.24 3.05 -15.69 1 7 0 74 331.42 5 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-hydroxy-1-piperidyl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) -0.24 5.1 -55.08 2 7 1 75 332.428 5 ↓
Mid Mid (pH 6-8) -0.24 3.08 -15.33 1 7 0 74 331.42 5 ↓

Analogs

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Popular Name: 1-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxamide 1-[6-(diethylaminomethyl)pyrazol…

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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) -0.49 5.11 -62.5 3 8 1 98 359.454 6 ↓
Mid Mid (pH 6-8) -0.49 3.04 -23.98 2 8 0 97 358.446 6 ↓

Analogs

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Popular Name: [(3R)-3-(aminomethyl)-1-piperidyl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone [(3R)-3-(aminomethyl)-1-piperidy…

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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) -0.42 6.42 -98.97 4 7 2 83 346.479 6 ↓
Mid Mid (pH 6-8) -0.42 4.4 -51.06 3 7 1 81 345.471 6 ↓

Analogs

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Popular Name: [(3S)-3-(aminomethyl)-1-piperidyl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone [(3S)-3-(aminomethyl)-1-piperidy…

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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) -0.42 6.43 -111.34 4 7 2 83 346.479 6 ↓
Mid Mid (pH 6-8) -0.42 4.41 -59.46 3 7 1 81 345.471 6 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-ethyl-3-hydroxy-1-piperidyl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) 0.71 6.68 -54.55 2 7 1 75 360.482 6 ↓
Mid Mid (pH 6-8) 0.71 4.51 -15.75 1 7 0 74 359.474 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-ethyl-3-hydroxy-1-piperidyl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) 0.71 6.61 -54.17 2 7 1 75 360.482 6 ↓
Mid Mid (pH 6-8) 0.71 4.45 -15.77 1 7 0 74 359.474 6 ↓

Analogs

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Popular Name: methyl 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) 0.76 9.98 -59.38 1 8 1 81 374.465 7 ↓
Mid Mid (pH 6-8) 0.76 7.85 -20.81 0 8 0 80 373.457 7 ↓

Analogs

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Popular Name: methyl 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) 0.76 10.01 -60.01 1 8 1 81 374.465 7 ↓
Mid Mid (pH 6-8) 0.76 7.92 -22.08 0 8 0 80 373.457 7 ↓

Analogs

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Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methoxy-1-piperidyl)methanone [6-(diethylaminomethyl)pyrazolo[…

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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) -0.35 7.46 -55.33 1 7 1 64 346.455 6 ↓

Analogs

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Popular Name: (3R)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide (3R)-1-(2,5,7-trimethylpyrazolo[…

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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 3.98 -18.39 2 7 0 94 315.377 2 ↓

Parameters Provided:

ring.id = 289502
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 = 289502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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