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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

45690004
45690004
45690006
45690006

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-propylpiperazin-1-yl)-N-(3-pyridylmethyl)ethanamine 2-(4-propylpiperazin-1-yl)-N-(3-…

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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) 1.06 5.62 -98.28 3 4 2 37 264.417 7 ↓
Hi High (pH 8-9.5) 1.06 4.25 -36.15 2 4 1 33 263.409 7 ↓
Hi High (pH 8-9.5) 1.06 1.98 -4.31 1 4 0 31 262.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-pyridylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine N-(3-pyridylmethyl)-2-[4-(2,2,2-…

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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) 1.11 3.14 -47.48 2 4 1 36 303.352 7 ↓
Hi High (pH 8-9.5) 1.11 1.77 -6.39 1 4 0 31 302.344 7 ↓
Lo Low (pH 4.5-6) 1.11 5.39 -130.15 3 4 2 37 304.36 7 ↓

Analogs

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Popular Name: 2-(4-isopropylpiperazin-1-yl)-N-(3-pyridylmethyl)ethanamine 2-(4-isopropylpiperazin-1-yl)-N-…

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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) 0.85 5.39 -96.39 3 4 2 37 264.417 6 ↓
Hi High (pH 8-9.5) 0.85 3.17 -45.19 2 4 1 36 263.409 6 ↓
Hi High (pH 8-9.5) 0.85 4.02 -34.02 2 4 1 33 263.409 6 ↓

Analogs

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Popular Name: 2-(4-tert-butylpiperazin-1-yl)-N-(3-pyridylmethyl)ethanamine 2-(4-tert-butylpiperazin-1-yl)-N…

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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) 1.37 5.61 -95.96 3 4 2 37 278.444 6 ↓
Hi High (pH 8-9.5) 1.37 2.1 -4.17 1 4 0 31 276.428 6 ↓
Hi High (pH 8-9.5) 1.37 3.47 -44.84 2 4 1 36 277.436 6 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-N-(3-pyridylmethyl)ethanamine 2-[4-[(1R)-1-methylpropyl]pipera…

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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) 1.39 5.96 -96.56 3 4 2 37 278.444 7 ↓
Hi High (pH 8-9.5) 1.39 2.68 -4.09 1 4 0 31 276.428 7 ↓
Hi High (pH 8-9.5) 1.39 4.05 -44.67 2 4 1 36 277.436 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-N-(3-pyridylmethyl)ethanamine 2-[4-[(1S)-1-methylpropyl]pipera…

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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) 1.39 5.98 -96.4 3 4 2 37 278.444 7 ↓
Hi High (pH 8-9.5) 1.39 4.06 -44.72 2 4 1 36 277.436 7 ↓
Hi High (pH 8-9.5) 1.39 4.61 -33.4 2 4 1 33 277.436 7 ↓

Analogs

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Popular Name: 2-(4-isobutylpiperazin-1-yl)-N-(3-pyridylmethyl)ethanamine 2-(4-isobutylpiperazin-1-yl)-N-(…

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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) 1.30 6.31 -98.69 3 4 2 37 278.444 7 ↓
Hi High (pH 8-9.5) 1.30 4.33 -44.99 2 4 1 36 277.436 7 ↓
Hi High (pH 8-9.5) 1.30 4.94 -35.73 2 4 1 33 277.436 7 ↓

Analogs

40770102
40770102
40770104
40770104
40770106
40770106

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(3-pyridyl)ethyl]butan-1-amine (2S)-3-methyl-2-(4-methylpiperaz…

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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) 1.85 6.73 -97.3 3 4 2 37 292.471 6 ↓
Mid Mid (pH 6-8) 1.85 6.27 -31.98 2 4 1 33 291.463 6 ↓
Lo Low (pH 4.5-6) 1.85 7.2 -173.35 4 4 3 38 293.479 6 ↓

Analogs

40770104
40770104
40770106
40770106
40770100
40770100

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(3-pyridyl)ethyl]butan-1-amine (2R)-3-methyl-2-(4-methylpiperaz…

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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) 1.85 6.8 -96.56 3 4 2 37 292.471 6 ↓
Mid Mid (pH 6-8) 1.85 6.58 -34.98 2 4 1 33 291.463 6 ↓
Lo Low (pH 4.5-6) 1.85 7.26 -173.55 4 4 3 38 293.479 6 ↓

Analogs

40770106
40770106
40770100
40770100
40770102
40770102

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-2-(4-methylpiperazin-1-yl)-N-[(1R)-1-(3-pyridyl)ethyl]butan-1-amine (2S)-3-methyl-2-(4-methylpiperaz…

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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) 1.85 6.77 -96.74 3 4 2 37 292.471 6 ↓
Mid Mid (pH 6-8) 1.85 6.29 -32.59 2 4 1 33 291.463 6 ↓
Lo Low (pH 4.5-6) 1.85 7.22 -173.52 4 4 3 38 293.479 6 ↓

Analogs

40770100
40770100
40770102
40770102
40770104
40770104

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-2-(4-methylpiperazin-1-yl)-N-[(1R)-1-(3-pyridyl)ethyl]butan-1-amine (2R)-3-methyl-2-(4-methylpiperaz…

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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) 1.85 6.56 -97.21 3 4 2 37 292.471 6 ↓
Mid Mid (pH 6-8) 1.85 6.61 -36.62 2 4 1 33 291.463 6 ↓
Lo Low (pH 4.5-6) 1.85 7.02 -172.8 4 4 3 38 293.479 6 ↓

Parameters Provided:

ring.id = 48003
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 = 48003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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