UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzofuran-3-yl]methanamine [2-[(3,5-dimethyl-1,2,4-triazol-…

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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) 0.91 5.78 -51.27 3 5 1 72 257.317 3 ↓
Hi High (pH 8-9.5) 0.91 5.38 -9.92 2 5 0 70 256.309 3 ↓

Analogs

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Popular Name: 1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzofuran-3-yl]-N-methyl-methanamine 1-[2-[(3,5-dimethyl-1,2,4-triazo…

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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) 1.28 7.65 -45.52 2 5 1 60 271.344 4 ↓

Analogs

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Popular Name: N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[(3,5-dimethyl-1,2,4-triaz…

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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) 1.66 8.65 -39.45 2 5 1 60 285.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methanamine [2-(1,2,4-triazol-1-ylmethyl)ben…

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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) 0.73 6.66 -44.52 3 5 1 72 229.263 3 ↓
Hi High (pH 8-9.5) 0.73 5.94 -10.6 2 5 0 70 228.255 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methanamine N-methyl-1-[2-(1,2,4-triazol-1-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) 1.11 7.99 -47.21 2 5 1 60 243.29 4 ↓

Analogs

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Popular Name: N-[[2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methyl]ethanamine N-[[2-(1,2,4-triazol-1-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) 1.48 8.85 -45.84 2 5 1 60 257.317 5 ↓

Analogs

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Popular Name: N-[[2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-1-amine N-[[2-(1,2,4-triazol-1-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) 1.98 9.6 -46.66 2 5 1 60 271.344 6 ↓

Analogs

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Popular Name: N-[[2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-2-amine N-[[2-(1,2,4-triazol-1-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) 1.78 9.37 -44.23 2 5 1 60 271.344 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-2-amine 2-methyl-N-[[2-(1,2,4-triazol-1-…

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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) 2.29 9.79 -42.36 2 5 1 60 285.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)benzofuran-3-yl]methyl]propan-1-amine 2-methyl-N-[[2-(1,2,4-triazol-1-…

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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) 2.23 10.3 -46.36 2 5 1 60 285.371 6 ↓

Parameters Provided:

ring.id = 260161
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 = 260161 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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