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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: (2E)-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3 (2E)-6-hydroxy-4-methyl-2-[(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) 6.69 15.4 -49.12 2 5 1 58 503.622 5 ↓
Mid Mid (pH 6-8) 6.69 13.19 -10.56 1 5 0 57 502.614 5 ↓
Mid Mid (pH 6-8) 6.69 13.95 -44.48 0 5 -1 60 501.606 5 ↓

Analogs

41585759
41585759

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Popular Name: (2E)-6-hydroxy-2-[(4-phenylphenyl)methylene]-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-one (2E)-6-hydroxy-2-[(4-phenylpheny…

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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) 6.31 12.82 -11.01 1 5 0 57 488.587 5 ↓
Mid Mid (pH 6-8) 6.31 13.4 -43.81 0 5 -1 60 487.579 5 ↓
Mid Mid (pH 6-8) 6.31 15.63 -33.06 1 5 0 61 488.587 5 ↓

Analogs

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Popular Name: (2E)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (2E)-7-[[4-(3-chlorophenyl)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) 6.97 13.33 -11.15 1 5 0 57 523.032 5 ↓
Mid Mid (pH 6-8) 6.97 13.91 -43.99 0 5 -1 60 522.024 5 ↓
Mid Mid (pH 6-8) 6.97 15.57 -50.81 2 5 1 58 524.04 5 ↓

Analogs

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Popular Name: (2E)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]be (2E)-7-[[4-(2-fluorophenyl)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) 6.81 16.21 -43.15 2 5 1 58 521.612 5 ↓
Mid Mid (pH 6-8) 6.81 16.77 -31.94 1 5 0 61 520.604 5 ↓
Mid Mid (pH 6-8) 6.81 13.97 -10.99 1 5 0 57 520.604 5 ↓

Analogs

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Popular Name: (2E)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (2E)-7-[[4-(2-fluorophenyl)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) 6.43 13.33 -11.2 1 5 0 57 506.577 5 ↓
Mid Mid (pH 6-8) 6.43 13.92 -48.42 0 5 -1 60 505.569 5 ↓
Mid Mid (pH 6-8) 6.43 15.57 -43.65 2 5 1 58 507.585 5 ↓

Analogs

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Popular Name: (2E)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]be (2E)-7-[[4-(4-fluorophenyl)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) 6.86 15.78 -52.87 2 5 1 58 521.612 5 ↓
Mid Mid (pH 6-8) 6.86 16.35 -35.09 1 5 0 61 520.604 5 ↓
Mid Mid (pH 6-8) 6.86 13.53 -11.78 1 5 0 57 520.604 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (2E)-7-[[4-(4-fluorophenyl)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) 6.48 12.88 -11.95 1 5 0 57 506.577 5 ↓
Mid Mid (pH 6-8) 6.48 13.46 -42.65 0 5 -1 60 505.569 5 ↓
Mid Mid (pH 6-8) 6.48 15.13 -53.29 2 5 1 58 507.585 5 ↓

Analogs

41585166
41585166

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Popular Name: (2E)-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-[(4-phenylphenyl)methylene]benzofuran (2E)-6-hydroxy-7-[[4-(4-methoxyp…

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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) 6.37 11.84 -12.05 1 6 0 66 518.613 6 ↓
Mid Mid (pH 6-8) 6.37 14.82 -33.39 1 6 0 70 518.613 6 ↓
Mid Mid (pH 6-8) 6.37 14.06 -51.71 2 6 1 67 519.621 6 ↓

Parameters Provided:

ring.id = 550058
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 = 550058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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