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

Analogs

20891214
20891214

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Popular Name: N-[2-[4-(2-phenylacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-(2-phenylacetyl)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) 2.07 5.87 -20.53 1 7 0 71 395.459 6 ↓

Analogs

20891209
20891209

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Popular Name: N-[2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(4-methoxyphenyl)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) 2.12 5.18 -22.1 1 8 0 80 425.485 7 ↓

Analogs

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

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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) 1.71 5.1 -24.93 1 9 0 90 455.511 8 ↓

Analogs

34686261
34686261
34686262
34686262

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

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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) 2.50 6.11 -21.97 1 8 0 80 439.512 8 ↓

Analogs

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

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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) 2.23 5.93 -21.44 1 7 0 71 413.449 6 ↓

Analogs

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

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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) 2.75 6.39 -20.76 1 7 0 71 429.904 6 ↓

Analogs

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

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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) 2.03 6.54 -25.26 1 10 0 117 440.456 7 ↓

Analogs

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Popular Name: N-[2-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[2-(m-tolyl)acetyl]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) 2.49 6.53 -20.67 1 7 0 71 409.486 6 ↓

Analogs

20891263
20891263

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Popular Name: N-[2-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[(2R)-2-phenylbutanoyl]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) 3.21 6.92 -19.67 1 7 0 71 423.513 7 ↓

Analogs

20891258
20891258

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Popular Name: N-[2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide N-[2-[4-[(2S)-2-phenylbutanoyl]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) 3.21 6.88 -19.75 1 7 0 71 423.513 7 ↓

Parameters Provided:

ring.id = 76555
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 = 76555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=76555&filter.purchasability=annotated

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