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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20891186
20891186
20891190
20891190

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Popular Name: N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-(2-phenoxyacetyl)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) 1.95 5.77 -23.27 1 8 0 80 411.458 7 ↓

Analogs

6647040
6647040

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Popular Name: N-[2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-chlorophenoxy)acet…

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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) 2.62 6.29 -22.77 1 8 0 80 445.903 7 ↓

Analogs

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Popular Name: N-[2-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(2,4-dichlorophenoxy)…

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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 6.83 -24.59 1 8 0 80 480.348 7 ↓

Analogs

20891151
20891151
34686153
34686153
34686154
34686154

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Popular Name: N-[2-[4-[(2R)-2-phenoxypropanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[(2R)-2-phenoxypropanoyl…

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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) 2.31 6.08 -23.06 1 8 0 80 425.485 7 ↓

Analogs

34686153
34686153
34686154
34686154
20891147
20891147

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Popular Name: N-[2-[4-[(2S)-2-phenoxypropanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[(2S)-2-phenoxypropanoyl…

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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) 2.31 6.1 -23.08 1 8 0 80 425.485 7 ↓

Analogs

26323781
26323781

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Popular Name: N-[2-[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-chlorophenoxy)-2-m…

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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) 3.43 6.08 -18.06 1 8 0 80 473.957 7 ↓

Analogs

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Popular Name: N-[2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(2-methoxyphenoxy)ace…

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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) 1.56 5.54 -26.81 1 9 0 90 441.484 8 ↓

Analogs

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Popular Name: N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(3-methoxyphenoxy)ace…

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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) 1.98 5.09 -25.91 1 9 0 90 441.484 8 ↓

Analogs

20891176
20891176

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Popular Name: N-[2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-methoxyphenoxy)ace…

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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) 2.00 5.07 -24.28 1 9 0 90 441.484 8 ↓

Analogs

20891171
20891171

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Popular Name: N-[2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-ethoxyphenoxy)acet…

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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) 2.38 5.99 -24.14 1 9 0 90 455.511 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(2-methylphenoxy)acet…

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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) 2.35 6.47 -23.03 1 8 0 80 425.485 7 ↓

Analogs

20891190
20891190
20891137
20891137

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Popular Name: N-[2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(3-methylphenoxy)acet…

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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) 2.37 6.44 -23.43 1 8 0 80 425.485 7 ↓

Analogs

20891137
20891137
20891186
20891186

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Popular Name: N-[2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-methylphenoxy)acet…

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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) 2.39 6.44 -23.19 1 8 0 80 425.485 7 ↓

Analogs

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Popular Name: N-[2-[4-[2-(4-isopropylphenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-isopropylphenoxy)a…

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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) 3.46 7.71 -22.81 1 8 0 80 453.539 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(2-fluorophenoxy)acet…

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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) 2.06 5.83 -27.11 1 8 0 80 429.448 7 ↓

Analogs

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Popular Name: N-[2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-fluorophenoxy)acet…

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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) 2.11 5.84 -23.32 1 8 0 80 429.448 7 ↓

Parameters Provided:

ring.id = 76519
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 = 76519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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