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

Analogs

41584592
41584592

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Popular Name: (2Z)-2-(2-furylmethylene)-6-hydroxy-4-methyl-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3- (2Z)-2-(2-furylmethylene)-6-hydr…

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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) 3.82 10.53 -37.47 2 6 1 81 417.485 4 ↓
Hi High (pH 8-9.5) 3.82 9.34 -49.78 0 6 -1 83 415.469 4 ↓
Mid Mid (pH 6-8) 3.82 11.31 -34.26 1 6 0 84 416.477 4 ↓

Analogs

41584572
41584572

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Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(5-methyl-2-furyl)methylene]-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]be (2Z)-6-hydroxy-4-methyl-2-[(5-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) 4.04 11.36 -37.38 2 6 1 81 431.512 4 ↓
Hi High (pH 8-9.5) 4.04 10.1 -51.04 0 6 -1 83 429.496 4 ↓
Mid Mid (pH 6-8) 4.04 9.34 -11.29 1 6 0 80 430.504 4 ↓

Analogs

41584645
41584645

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Popular Name: (2Z)-2-(2-furylmethylene)-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3-one (2Z)-2-(2-furylmethylene)-6-hydr…

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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) 3.44 9.97 -40.73 2 6 1 81 403.458 4 ↓
Hi High (pH 8-9.5) 3.44 8.75 -49.62 0 6 -1 83 401.442 4 ↓
Mid Mid (pH 6-8) 3.44 8.11 -10.77 1 6 0 80 402.45 4 ↓

Analogs

41584625
41584625

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Popular Name: (2Z)-6-hydroxy-2-[(5-methyl-2-furyl)methylene]-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran- (2Z)-6-hydroxy-2-[(5-methyl-2-fu…

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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) 3.66 10.72 -37.72 2 6 1 81 417.485 4 ↓
Hi High (pH 8-9.5) 3.66 9.47 -50.22 0 6 -1 83 415.469 4 ↓
Mid Mid (pH 6-8) 3.66 11.48 -34.44 1 6 0 84 416.477 4 ↓

Parameters Provided:

ring.id = 549851
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 = 549851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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