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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: N-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propyl]-2-[methyl(oxo)BLAHyl]acetamide N-[3-[4-(2,4-dimethoxyphenyl)pip…

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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) 3.61 11.23 -56.41 2 10 1 95 519.626 9 ↓
Mid Mid (pH 6-8) 3.61 9.02 -23.34 1 10 0 93 518.618 9 ↓

Analogs

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Popular Name: 2-[bromo(oxo)BLAHyl]-N-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propyl]acetamide 2-[bromo(oxo)BLAHyl]-N-[3-[4-(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) 4.19 11.45 -53.22 2 10 1 95 584.495 9 ↓
Mid Mid (pH 6-8) 4.19 9.23 -19.44 1 10 0 93 583.487 9 ↓

Analogs

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Popular Name: 2-[bromo(oxo)BLAHyl]-N-[3-[4-(p-tolyl)piperazin-1-yl]propyl]acetamide 2-[bromo(oxo)BLAHyl]-N-[3-[4-(p-…

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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) 4.59 13.01 -55.78 2 8 1 76 538.47 7 ↓
Mid Mid (pH 6-8) 4.59 10.79 -18 1 8 0 75 537.462 7 ↓

Analogs

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Popular Name: N-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propyl]-2-(oxoBLAHyl)acetamide N-[3-[4-(2,4-dimethoxyphenyl)pip…

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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 10.84 -56.26 2 10 1 95 505.599 9 ↓
Mid Mid (pH 6-8) 3.23 8.61 -23.31 1 10 0 93 504.591 9 ↓

Analogs

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Popular Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-(oxoBLAHyl)acetamide N-[3-[4-(4-chlorophenyl)piperazi…

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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) 3.87 12.27 -61.85 2 8 1 76 479.992 7 ↓
Mid Mid (pH 6-8) 3.87 10.06 -21.78 1 8 0 75 478.984 7 ↓

Analogs

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Popular Name: 2-[methyl(oxo)BLAHyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide 2-[methyl(oxo)BLAHyl]-N-[3-(4-ph…

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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) 3.57 12.14 -58.73 2 8 1 76 459.574 7 ↓
Mid Mid (pH 6-8) 3.57 9.92 -21.73 1 8 0 75 458.566 7 ↓

Analogs

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Popular Name: 2-[bromo(oxo)BLAHyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide 2-[bromo(oxo)BLAHyl]-N-[3-(4-phe…

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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) 4.14 12.33 -55.75 2 8 1 76 524.443 7 ↓
Mid Mid (pH 6-8) 4.14 10.12 -17.92 1 8 0 75 523.435 7 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)-N-[3-[4-(p-tolyl)piperazin-1-yl]propyl]acetamide 2-(oxoBLAHyl)-N-[3-[4-(p-tolyl)p…

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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) 3.64 12.4 -58.75 2 8 1 76 459.574 7 ↓
Mid Mid (pH 6-8) 3.64 10.18 -21.82 1 8 0 75 458.566 7 ↓

Analogs

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Popular Name: 2-[bromo(oxo)BLAHyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide 2-[bromo(oxo)BLAHyl]-N-[3-[4-(4-…

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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) 4.20 11.61 -58.24 2 9 1 85 554.469 8 ↓
Mid Mid (pH 6-8) 4.20 9.41 -19.34 1 9 0 84 553.461 8 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide 2-(oxoBLAHyl)-N-[3-(4-phenylpipe…

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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) 3.19 11.73 -58.86 2 8 1 76 445.547 7 ↓
Mid Mid (pH 6-8) 3.19 9.51 -21.74 1 8 0 75 444.539 7 ↓

Analogs

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Popular Name: 2-[bromo(oxo)BLAHyl]-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]acetamide 2-[bromo(oxo)BLAHyl]-N-[3-[4-(4-…

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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) 4.82 12.86 -58.62 2 8 1 76 558.888 7 ↓
Mid Mid (pH 6-8) 4.82 10.64 -17.97 1 8 0 75 557.88 7 ↓

Analogs

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Popular Name: 2-[methyl(oxo)BLAHyl]-N-[3-[4-(p-tolyl)piperazin-1-yl]propyl]acetamide 2-[methyl(oxo)BLAHyl]-N-[3-[4-(p…

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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) 4.01 12.78 -58.59 2 8 1 76 473.601 7 ↓
Mid Mid (pH 6-8) 4.01 10.58 -21.68 1 8 0 75 472.593 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-[methyl(oxo)BLAHyl]acetamide N-[3-[4-(4-methoxyphenyl)piperaz…

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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) 3.62 11.42 -61.22 2 9 1 85 489.6 8 ↓
Mid Mid (pH 6-8) 3.62 9.2 -23.21 1 9 0 84 488.592 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-[methyl(oxo)BLAHyl]acetamide N-[3-[4-(4-chlorophenyl)piperazi…

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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) 4.24 12.65 -61.66 2 8 1 76 494.019 7 ↓
Mid Mid (pH 6-8) 4.24 10.44 -21.72 1 8 0 75 493.011 7 ↓

Parameters Provided:

ring.id = 471591
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 = 471591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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