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

Analogs

41514105
41514105
41514933
41514933
41584865
41584865

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2-[(4-phenylphenyl)methylene]benzofuran-3 (2Z)-6-hydroxy-4-methyl-7-[(4-me…

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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) 4.99 11.36 -45.52 2 5 1 58 441.551 4 ↓
Hi High (pH 8-9.5) 4.99 9.56 -44 0 5 -1 60 439.535 4 ↓
Hi High (pH 8-9.5) 4.99 8.99 -9.26 1 5 0 57 440.543 4 ↓

Analogs

41514991
41514991
41584916
41584916

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Popular Name: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-[(4-phenylphenyl)methylene]benzofuran-3-one (2Z)-6-hydroxy-7-[(4-methylpiper…

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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) 4.62 10.43 -41.92 2 5 1 58 427.524 4 ↓
Hi High (pH 8-9.5) 4.62 8.06 -9.08 1 5 0 57 426.516 4 ↓
Hi High (pH 8-9.5) 4.62 8.83 -43.85 0 5 -1 60 425.508 4 ↓

Analogs

41514933
41514933
41584865
41584865
41513910
41513910

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-2-[(4-phenylphenyl)methylene]be (2Z)-6-hydroxy-7-[[4-(2-hydroxye…

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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) 4.36 8.72 -46.63 3 6 1 78 471.577 6 ↓
Hi High (pH 8-9.5) 4.36 7.02 -47.3 1 6 -1 80 469.561 6 ↓
Mid Mid (pH 6-8) 4.36 8.79 -43.96 3 6 1 78 471.577 6 ↓

Analogs

41584865
41584865
41513910
41513910
41514105
41514105

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]benzofuran-3- (2Z)-7-[(4-ethylpiperazin-1-yl)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) 5.37 11.76 -40.29 2 5 1 58 455.578 5 ↓
Hi High (pH 8-9.5) 5.37 10.25 -44.71 0 5 -1 60 453.562 5 ↓
Hi High (pH 8-9.5) 5.37 9.49 -8.85 1 5 0 57 454.57 5 ↓

Analogs

41584916
41584916
41513954
41513954

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran-3-one (2Z)-7-[(4-ethylpiperazin-1-yl)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) 4.99 11.11 -40.55 2 5 1 58 441.551 5 ↓
Hi High (pH 8-9.5) 4.99 9.6 -43.64 0 5 -1 60 439.535 5 ↓
Hi High (pH 8-9.5) 4.99 11.87 -49.74 1 5 0 61 440.543 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 5.44 10.9 -14.26 1 7 0 83 498.579 6 ↓
Hi High (pH 8-9.5) 5.44 11.67 -44.59 0 7 -1 86 497.571 6 ↓
Mid Mid (pH 6-8) 5.44 13.11 -55.86 2 7 1 84 499.587 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 5.07 10.25 -14.33 1 7 0 83 484.552 6 ↓
Hi High (pH 8-9.5) 5.07 11.02 -43.78 0 7 -1 86 483.544 6 ↓
Mid Mid (pH 6-8) 5.07 12.46 -56.22 2 7 1 84 485.56 6 ↓

Parameters Provided:

ring.id = 538198
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 = 538198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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