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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: (4-benzylpiperazin-1-yl)-[(2S,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-yl]methanone (4-benzylpiperazin-1-yl)-[(2S,3S…

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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 8.81 -12.76 0 4 0 33 350.462 3 ↓
Mid Mid (pH 6-8) 3.43 11.09 -47.17 1 4 1 34 351.47 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzylpiperazin-1-yl)-[(2R,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-yl]methanone (4-benzylpiperazin-1-yl)-[(2R,3S…

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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 8.73 -12.8 0 4 0 33 350.462 3 ↓
Mid Mid (pH 6-8) 3.43 11.07 -48.56 1 4 1 34 351.47 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzylpiperazin-1-yl)-[(2S,3R)-2,3-dimethyl-2,3-dihydrobenzofuran-7-yl]methanone (4-benzylpiperazin-1-yl)-[(2S,3R…

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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 8.78 -12.45 0 4 0 33 350.462 3 ↓
Mid Mid (pH 6-8) 3.43 11.12 -47.52 1 4 1 34 351.47 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzylpiperazin-1-yl)-[(2R,3R)-2,3-dimethyl-2,3-dihydrobenzofuran-7-yl]methanone (4-benzylpiperazin-1-yl)-[(2R,3R…

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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 8.81 -13.2 0 4 0 33 350.462 3 ↓
Mid Mid (pH 6-8) 3.43 11.09 -48.16 1 4 1 34 351.47 3 ↓

Analogs

6687445
6687445
6687524
6687524
6687527
6687527

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Popular Name: 2,3-dihydrobenzofuran-7-yl-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]methanone 2,3-dihydrobenzofuran-7-yl-[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) 2.03 5.05 -14.49 1 5 0 53 352.434 4 ↓
Mid Mid (pH 6-8) 2.03 7.18 -50.61 2 5 1 54 353.442 4 ↓

Parameters Provided:

ring.id = 105591
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 = 105591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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