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

Analogs

41584864
41584864
20591561
20591561
41513907
41513907
41514930
41514930

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-(2-furylmethylene)-6-hydroxy-4-methyl-benzofuran-3-one (2Z)-7-[(4-benzylpiperazin-1-yl)…

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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) 3.85 10.33 -42.45 2 6 1 71 431.512 5 ↓
Hi High (pH 8-9.5) 3.85 8.62 -46.38 0 6 -1 73 429.496 5 ↓
Mid Mid (pH 6-8) 3.85 10.29 -46.49 2 6 1 71 431.512 5 ↓

Analogs

41514930
41514930
41513907
41513907
41514102
41514102
41584844
41584844

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-2-[(5-methyl-2-furyl)methylene]benzofuran (2Z)-7-[(4-benzylpiperazin-1-yl)…

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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) 4.08 11.16 -42.34 2 6 1 71 445.539 5 ↓
Hi High (pH 8-9.5) 4.08 9.44 -47.08 0 6 -1 73 443.523 5 ↓
Mid Mid (pH 6-8) 4.08 11.11 -46.62 2 6 1 71 445.539 5 ↓

Analogs

19371115
19371115

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-2-(2-furylmethylene)-6-hydroxy-benzofuran-3-one (2Z)-7-[(4-benzylpiperazin-1-yl)…

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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) 3.48 9.34 -43.98 2 6 1 71 417.485 5 ↓
Hi High (pH 8-9.5) 3.48 7.86 -45.83 0 6 -1 73 415.469 5 ↓
Mid Mid (pH 6-8) 3.48 10.13 -28.77 1 6 0 74 416.477 5 ↓

Analogs

22027172
22027172

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Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2-[(5-methyl-2-furyl)methylene]benzofuran-3-one (2Z)-7-[(4-benzylpiperazin-1-yl)…

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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) 3.70 10.51 -42.7 2 6 1 71 431.512 5 ↓
Hi High (pH 8-9.5) 3.70 8.79 -46.08 0 6 -1 73 429.496 5 ↓
Mid Mid (pH 6-8) 3.70 11.08 -29.4 1 6 0 74 430.504 5 ↓

Parameters Provided:

ring.id = 549942
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 = 549942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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