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

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Popular Name: 1-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-2-morpholino-ethanone 1-[4-[(4-isopropylphenyl)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) 2.34 5.52 -9.13 0 5 0 36 345.487 5 ↓
Mid Mid (pH 6-8) 2.34 7.73 -48.21 1 5 1 37 346.495 5 ↓
Lo Low (pH 4.5-6) 2.34 9.93 -103.24 2 5 2 38 347.503 5 ↓

Analogs

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Popular Name: 2-morpholino-1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethanone 2-morpholino-1-[4-[(4-nitropheny…

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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) 0.79 4.3 -14.69 0 8 0 82 348.403 5 ↓
Mid Mid (pH 6-8) 0.79 6.51 -65.84 1 8 1 83 349.411 5 ↓

Analogs

37010465
37010465
37010466
37010466
16420222
16420222
16420223
16420223

Draw Identity 99% 90% 80% 70%

Popular Name: 2-morpholino-1-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone 2-morpholino-1-[4-[(1R)-1-(3-nit…

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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) 1.32 5.16 -14.6 0 8 0 82 362.43 5 ↓
Lo Low (pH 4.5-6) 1.32 7.17 -62.43 1 8 1 83 363.438 5 ↓
Lo Low (pH 4.5-6) 1.32 9.43 -119.21 2 8 2 84 364.446 5 ↓

Analogs

16420222
16420222
16420223
16420223

Draw Identity 99% 90% 80% 70%

Popular Name: 2-morpholino-1-[4-[(1S)-1-(3-nitrophenyl)ethyl]piperazin-1-yl]ethanone 2-morpholino-1-[4-[(1S)-1-(3-nit…

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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) 1.32 5.23 -13.51 0 8 0 82 362.43 5 ↓
Lo Low (pH 4.5-6) 1.32 7.15 -60.93 1 8 1 83 363.438 5 ↓
Lo Low (pH 4.5-6) 1.32 9.41 -116.83 2 8 2 84 364.446 5 ↓

Analogs

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Popular Name: 1-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-morpholino-ethanone 1-[4-[(1S)-1-(4-fluorophenyl)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) 1.55 4.61 -10.07 0 5 0 36 335.423 4 ↓
Mid Mid (pH 6-8) 1.55 6.51 -51.03 1 5 1 37 336.431 4 ↓
Lo Low (pH 4.5-6) 1.55 8.7 -107.48 2 5 2 38 337.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-morpholino-ethanone 1-[4-[(1R)-1-(4-fluorophenyl)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) 1.55 4.49 -8.82 0 5 0 36 335.423 4 ↓
Mid Mid (pH 6-8) 1.55 6.51 -49.25 1 5 1 37 336.431 4 ↓
Lo Low (pH 4.5-6) 1.55 8.71 -104.24 2 5 2 38 337.439 4 ↓

Analogs

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Popular Name: (2S)-2-[4-(2-morpholinoacetyl)piperazin-1-yl]-2-phenyl-acetonitrile (2S)-2-[4-(2-morpholinoacetyl)pi…

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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) 0.80 4.06 -12.46 0 6 0 60 328.416 4 ↓
Lo Low (pH 4.5-6) 0.80 6.26 -46.09 1 6 1 61 329.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2-morpholinoacetyl)piperazin-1-yl]-2-phenyl-acetonitrile (2R)-2-[4-(2-morpholinoacetyl)pi…

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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) 0.80 4.16 -11.08 0 6 0 60 328.416 4 ↓
Lo Low (pH 4.5-6) 0.80 6.35 -43.92 1 6 1 61 329.424 4 ↓

Parameters Provided:

ring.id = 28589
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 = 28589 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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