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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: 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[2-(4-methoxyphenyl)ethyl]…

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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) 3.25 9.96 -48.21 1 4 1 41 336.459 6 ↓
Mid Mid (pH 6-8) 3.25 9.96 -50.91 1 4 1 41 336.459 6 ↓
Mid Mid (pH 6-8) 3.25 7.69 -7.74 0 4 0 40 335.451 6 ↓

Analogs

23360366
23360366

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Popular Name: 2-[(2R)-4-[(4-fluorophenyl)methyl]-1-phenethyl-piperazin-2-yl]ethanol 2-[(2R)-4-[(4-fluorophenyl)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) 3.23 8.09 -41.91 2 3 1 28 343.466 7 ↓
Mid Mid (pH 6-8) 3.23 5.92 -5.93 1 3 0 27 342.458 7 ↓
Mid Mid (pH 6-8) 3.23 8.17 -46.53 2 3 1 28 343.466 7 ↓

Analogs

32228412
32228412
32228414
32228414
23360364
23360364

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Popular Name: 2-[(2S)-4-[(4-fluorophenyl)methyl]-1-phenethyl-piperazin-2-yl]ethanol 2-[(2S)-4-[(4-fluorophenyl)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) 3.23 8.06 -41.84 2 3 1 28 343.466 7 ↓
Mid Mid (pH 6-8) 3.23 8.15 -46.44 2 3 1 28 343.466 7 ↓
Mid Mid (pH 6-8) 3.23 5.9 -5.96 1 3 0 27 342.458 7 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-phenethyl-piperazin-2-yl]ethanol 2-[(2S)-1-[(3-methoxyphenyl)meth…

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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) 3.10 7.42 -43.01 2 4 1 37 355.502 8 ↓
Hi High (pH 8-9.5) 3.10 5.14 -6.34 1 4 0 36 354.494 8 ↓
Mid Mid (pH 6-8) 3.10 7.27 -37.14 2 4 1 37 355.502 8 ↓

Analogs

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Popular Name: 3-[[4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]methyl]benzamide 3-[[4-[(2S)-2-hydroxy-2-phenyl-e…

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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) 1.24 4 -43.27 4 5 1 71 340.447 6 ↓
Mid Mid (pH 6-8) 1.24 3.98 -45.09 4 5 1 71 340.447 6 ↓
Mid Mid (pH 6-8) 1.24 1.74 -11.86 3 5 0 70 339.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]methyl]benzamide 3-[[4-[(2R)-2-hydroxy-2-phenyl-e…

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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) 1.24 3.96 -43.17 4 5 1 71 340.447 6 ↓
Mid Mid (pH 6-8) 1.24 4.01 -45.15 4 5 1 71 340.447 6 ↓
Mid Mid (pH 6-8) 1.24 1.7 -11.95 3 5 0 70 339.439 6 ↓

Analogs

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Popular Name: (2S)-2-[4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]-2-phenyl-acetamide (2S)-2-[4-[(2S)-2-hydroxy-2-phen…

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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) 1.36 2.15 -9.2 3 5 0 70 339.439 6 ↓
Mid Mid (pH 6-8) 1.36 4.37 -39.82 4 5 1 71 340.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]-2-phenyl-acetamide (2S)-2-[4-[(2R)-2-hydroxy-2-phen…

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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) 1.36 2.06 -10.34 3 5 0 70 339.439 6 ↓
Mid Mid (pH 6-8) 1.36 4.38 -42.13 4 5 1 71 340.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]-2-phenyl-acetamide (2R)-2-[4-[(2S)-2-hydroxy-2-phen…

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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) 1.36 1.97 -10.37 3 5 0 70 339.439 6 ↓
Mid Mid (pH 6-8) 1.36 4.22 -42.41 4 5 1 71 340.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2R)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]-2-phenyl-acetamide (2R)-2-[4-[(2R)-2-hydroxy-2-phen…

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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) 1.36 1.98 -10.01 3 5 0 70 339.439 6 ↓
Mid Mid (pH 6-8) 1.36 4.29 -42.01 4 5 1 71 340.447 6 ↓

Parameters Provided:

ring.id = 24663
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 = 24663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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