UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzofuran-2-carboxamide 5-amino-N-methyl-N-[(1-methylpyr…

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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) 0.77 4.91 -11.44 2 6 0 77 284.319 3 ↓

Analogs

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Popular Name: 5-amino-N-(1H-pyrazol-4-ylmethyl)benzofuran-2-carboxamide 5-amino-N-(1H-pyrazol-4-ylmethyl…

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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) 0.46 1.35 -10.7 4 6 0 97 256.265 3 ↓

Analogs

37986614
37986614

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Popular Name: 5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzofuran-2-carboxamide 5-methyl-N-[(1-methylpyrazol-4-y…

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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) 1.90 5.48 -10.37 1 5 0 60 269.304 3 ↓

Analogs

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Popular Name: 7-chloro-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzofuran-2-carboxamide 7-chloro-N,3-dimethyl-N-[(1-meth…

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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) 2.72 8.24 -12.81 0 5 0 51 317.776 3 ↓

Analogs

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Popular Name: 5-methoxy-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzofuran-2-carboxamide 5-methoxy-N,3-dimethyl-N-[(1-met…

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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) 2.12 7.01 -14.37 0 6 0 61 313.357 4 ↓

Analogs

37986614
37986614

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Popular Name: N-[(1-methylpyrazol-4-yl)methyl]benzofuran-2-carboxamide N-[(1-methylpyrazol-4-yl)methyl]…

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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) 1.47 4.81 -10.62 1 5 0 60 255.277 3 ↓

Parameters Provided:

ring.id = 16048
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 = 16048 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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