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

Analogs

41514099
41514099
41514927
41514927
41584863
41584863

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[(4-methylpiperazin-1-yl)methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofura (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) 3.96 9.2 -43.59 2 5 1 58 391.491 4 ↓
Hi High (pH 8-9.5) 3.96 7.41 -44.15 0 5 -1 60 389.475 4 ↓
Hi High (pH 8-9.5) 3.96 6.84 -9.21 1 5 0 57 390.483 4 ↓

Analogs

41514927
41514927
41584863
41584863
41513904
41513904

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-2-[(E)-3-phenylprop-2-enylidene (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) 3.32 6.58 -43.19 3 6 1 78 421.517 6 ↓
Hi High (pH 8-9.5) 3.32 4.88 -47.5 1 6 -1 80 419.501 6 ↓
Mid Mid (pH 6-8) 3.32 6.64 -41.9 3 6 1 78 421.517 6 ↓

Analogs

41584863
41584863
41513904
41513904
41514099
41514099

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-2-[(E)-3-phenylprop-2-enylidene]benzofuran (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) 4.33 9.61 -40.44 2 5 1 58 405.518 5 ↓
Hi High (pH 8-9.5) 4.33 8.11 -44.75 0 5 -1 60 403.502 5 ↓
Hi High (pH 8-9.5) 4.33 10.37 -51.07 1 5 0 61 404.51 5 ↓

Analogs

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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) 4.41 8.76 -13.69 1 7 0 83 448.519 6 ↓
Hi High (pH 8-9.5) 4.41 9.52 -44.56 0 7 -1 86 447.511 6 ↓
Mid Mid (pH 6-8) 4.41 10.96 -53.37 2 7 1 84 449.527 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) 4.03 8.11 -13.69 1 7 0 83 434.492 6 ↓
Hi High (pH 8-9.5) 4.03 8.87 -43.72 0 7 -1 86 433.484 6 ↓
Mid Mid (pH 6-8) 4.03 10.32 -53.66 2 7 1 84 435.5 6 ↓

Parameters Provided:

ring.id = 538191
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 = 538191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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