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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[(5-bromo-2-thienyl)methyl]-1,2,4-triazole-3-carbonitrile 1-[(5-bromo-2-thienyl)methyl]-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) 1.75 6.85 -11.78 0 4 0 55 269.127 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-thienyl)methyl]-3-nitro-1,2,4-triazole 1-[(5-bromo-2-thienyl)methyl]-3-…

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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) 2.17 9.76 -14.36 0 6 0 77 289.114 3 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-thienyl)methyl]-1,2,4-triazol-3-amine 1-[(5-bromo-2-thienyl)methyl]-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) 1.69 7.01 -9.5 2 4 0 57 259.132 2 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)methyl]-1,2,4-triazol-3-amine 1-[(5-chloro-2-thienyl)methyl]-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) 1.56 6.91 -9.52 2 4 0 57 214.681 2 ↓

Analogs

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Popular Name: 1-(2-thienylmethyl)-1,2,4-triazol-3-amine 1-(2-thienylmethyl)-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) 0.76 6.28 -9.6 2 4 0 57 180.236 2 ↓

Analogs

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Popular Name: 1-[(5-ethyl-2-thienyl)methyl]-1,2,4-triazol-3-amine 1-[(5-ethyl-2-thienyl)methyl]-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) 1.55 7.9 -9.49 2 4 0 57 208.29 3 ↓

Parameters Provided:

ring.id = 557456
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 = 557456 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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