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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

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2R,5R)-2,5-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2R,5R)-2,5-dimethylpipera…

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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) 0.52 0.27 -36.86 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.52 -1 -2.43 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.52 2.54 -88.71 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2S,5R)-2,5-dimethylpipera…

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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) 0.52 0.36 -37.25 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.52 -0.92 -2.6 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.52 2.64 -89.21 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2R,5S)-2,5-dimethylpipera…

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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) 0.52 0.36 -37.26 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.52 -0.89 -2.71 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.52 2.65 -89.08 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2S,5S)-2,5-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2S,5S)-2,5-dimethylpipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.52 0.28 -36.75 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.52 -0.84 -2.39 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.52 2.54 -88.41 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2,2-dimethylpiperazin-1-yl)ethyl]morpholine 4-[2-(2,2-dimethylpiperazin-1-yl…

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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) 0.32 0.1 -39.04 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.32 -1.08 -2.49 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.32 2.38 -89.92 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2S,6R)-2,6-dimethylpipera…

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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 -39.65 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.18 -1.45 -2.79 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.18 2.2 -94.35 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2S,6S)-2,6-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2S,6S)-2,6-dimethylpipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 0.16 -39.21 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.18 -1.01 -2.6 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.18 2.47 -89.61 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(2R,6R)-2,6-dimethylpiperazin-1-yl]ethyl]morpholine 4-[2-[(2R,6R)-2,6-dimethylpipera…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 0.14 -39.07 2 4 1 32 228.36 3 ↓
Hi High (pH 8-9.5) 0.18 -1.03 -2.38 1 4 0 28 227.352 3 ↓
Mid Mid (pH 6-8) 0.18 2.41 -89.53 3 4 2 34 229.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]morpholine 4-[2-[4-(3,3-dimethylbutyl)piper…

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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) 2.08 4.43 -35.95 1 4 1 20 284.468 6 ↓
Hi High (pH 8-9.5) 2.08 2.16 -2.51 0 4 0 19 283.46 6 ↓
Mid Mid (pH 6-8) 2.08 6.72 -90.8 2 4 2 21 285.476 6 ↓

Analogs

41248814
41248814
41327168
41327168
49773799
49773799
71150688
71150688
32008008
32008008

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine 4-[2-(4-methylpiperazin-1-yl)eth…

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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) 0.11 1.35 -34.81 1 4 1 20 214.333 3 ↓
Hi High (pH 8-9.5) 0.11 -1.03 -3.08 0 4 0 19 213.325 3 ↓
Mid Mid (pH 6-8) 0.11 1.25 -35.54 1 4 1 20 214.333 3 ↓

Parameters Provided:

ring.id = 150334
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 = 150334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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