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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-(piperazin-1-ylmethyl)morpholine 4-ethyl-2-(piperazin-1-ylmethyl)…

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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) -0.12 -0.05 -38.09 2 4 1 32 214.333 3 ↓
Hi High (pH 8-9.5) -0.12 -1.4 -3.04 1 4 0 28 213.325 3 ↓
Mid Mid (pH 6-8) -0.12 2.23 -84.28 3 4 2 34 215.341 3 ↓

Analogs

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Popular Name: 4-methyl-2-[(3-methylpiperazin-1-yl)methyl]morpholine 4-methyl-2-[(3-methylpiperazin-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) 0.18 -0.07 -36.12 2 4 1 32 214.333 2 ↓
Hi High (pH 8-9.5) 0.18 -1.34 -3.17 1 4 0 28 213.325 2 ↓
Mid Mid (pH 6-8) 0.18 2.36 -82.64 3 4 2 34 215.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(3-methylpiperazin-1-yl)methyl]morpholine 4-methyl-2-[(3-methylpiperazin-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) 0.18 -0.18 -36.2 2 4 1 32 214.333 2 ↓
Hi High (pH 8-9.5) 0.18 -1.43 -3.03 1 4 0 28 213.325 2 ↓
Mid Mid (pH 6-8) 0.18 2.25 -83.79 3 4 2 34 215.341 2 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-4-isobutyl-morpholine (2S)-2-[[(2S,6R)-2,6-dimethylpip…

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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) 1.28 3.05 -36.29 2 4 1 32 270.441 4 ↓
Hi High (pH 8-9.5) 1.28 1.71 -2.01 1 4 0 28 269.433 4 ↓
Mid Mid (pH 6-8) 1.28 4.92 -87.21 3 4 2 34 271.449 4 ↓

Analogs

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Popular Name: (2S)-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-4-isobutyl-morpholine (2S)-2-[[(2S,6S)-2,6-dimethylpip…

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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) 1.28 2.79 -37.45 2 4 1 32 270.441 4 ↓
Hi High (pH 8-9.5) 1.28 1.64 -2.29 1 4 0 28 269.433 4 ↓
Mid Mid (pH 6-8) 1.28 4.77 -84.14 3 4 2 34 271.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R,6R)-2,6-dimethylpiperazin-1-yl]methyl]-4-isobutyl-morpholine (2S)-2-[[(2R,6R)-2,6-dimethylpip…

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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) 1.28 3.22 -36.03 2 4 1 32 270.441 4 ↓
Hi High (pH 8-9.5) 1.28 2.07 -1.92 1 4 0 28 269.433 4 ↓
Mid Mid (pH 6-8) 1.28 5.1 -82.17 3 4 2 34 271.449 4 ↓

Analogs

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Popular Name: (2S)-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]morpholine (2S)-2-[[4-[(1R)-1-methylpropyl]…

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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 3.42 -83.62 3 4 2 34 243.395 4 ↓
Hi High (pH 8-9.5) 0.71 0.22 -2.74 1 4 0 28 241.379 4 ↓
Hi High (pH 8-9.5) 0.71 1.59 -40.32 2 4 1 32 242.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]morpholine (2S)-2-[[4-[(1S)-1-methylpropyl]…

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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 3.33 -83.94 3 4 2 34 243.395 4 ↓
Hi High (pH 8-9.5) 0.71 1.96 -30.86 2 4 1 29 242.387 4 ↓
Hi High (pH 8-9.5) 0.71 0.05 -2.69 1 4 0 28 241.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[(1R)-1-methylpropyl]piperazin-1-yl]methyl]morpholine (2R)-2-[[4-[(1R)-1-methylpropyl]…

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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 3.38 -83.52 3 4 2 34 243.395 4 ↓
Hi High (pH 8-9.5) 0.71 1.5 -40.4 2 4 1 32 242.387 4 ↓
Hi High (pH 8-9.5) 0.71 0.12 -2.66 1 4 0 28 241.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[(1S)-1-methylpropyl]piperazin-1-yl]methyl]morpholine (2R)-2-[[4-[(1S)-1-methylpropyl]…

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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 3.39 -83.8 3 4 2 34 243.395 4 ↓
Hi High (pH 8-9.5) 0.71 1.5 -40.41 2 4 1 32 242.387 4 ↓
Hi High (pH 8-9.5) 0.71 0.13 -2.63 1 4 0 28 241.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-isobutylpiperazin-1-yl)methyl]morpholine (2S)-2-[(4-isobutylpiperazin-1-y…

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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) 0.62 3.76 -85.06 3 4 2 34 243.395 4 ↓
Hi High (pH 8-9.5) 0.62 2.41 -32.47 2 4 1 29 242.387 4 ↓
Hi High (pH 8-9.5) 0.62 0.56 -2.8 1 4 0 28 241.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-isobutylpiperazin-1-yl)methyl]morpholine (2R)-2-[(4-isobutylpiperazin-1-y…

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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) 0.62 3.72 -85.53 3 4 2 34 243.395 4 ↓
Hi High (pH 8-9.5) 0.62 1.75 -40.74 2 4 1 32 242.387 4 ↓
Hi High (pH 8-9.5) 0.62 2.35 -32.86 2 4 1 29 242.387 4 ↓

Parameters Provided:

ring.id = 76245
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 = 76245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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