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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: N-[2-(3-methylphenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(3-methylphenoxy)ethyl]-5-o…

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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) 0.44 1.01 -10.1 3 7 0 100 262.269 5 ↓
Mid Mid (pH 6-8) 0.90 -1.53 -49.92 2 7 -1 103 261.261 5 ↓
Lo Low (pH 4.5-6) 0.90 -0.44 -23.78 3 7 0 104 262.269 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(4-chlorophenoxy)ethyl]-5-o…

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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) 0.69 0.86 -10.45 3 7 0 100 282.687 5 ↓
Mid Mid (pH 6-8) 1.15 -1.69 -48.82 2 7 -1 103 281.679 5 ↓
Lo Low (pH 4.5-6) 1.15 -0.6 -24.9 3 7 0 104 282.687 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-chlorophenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(3-chlorophenoxy)ethyl]-5-o…

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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) 0.67 0.86 -9.86 3 7 0 100 282.687 5 ↓
Mid Mid (pH 6-8) 1.13 -1.69 -48.33 2 7 -1 103 281.679 5 ↓
Lo Low (pH 4.5-6) 1.13 -0.6 -24.04 3 7 0 104 282.687 5 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-phenoxy-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-1-methyl-2-phenoxy-ethyl…

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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) 0.35 1.22 -8.96 3 7 0 100 262.269 5 ↓
Mid Mid (pH 6-8) 0.80 -1.31 -48.89 2 7 -1 103 261.261 5 ↓
Lo Low (pH 4.5-6) 0.80 -0.22 -22.35 3 7 0 104 262.269 5 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-phenoxy-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-1-methyl-2-phenoxy-ethyl…

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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) 0.35 1.22 -8.96 3 7 0 100 262.269 5 ↓
Mid Mid (pH 6-8) 0.80 -1.31 -48.88 2 7 -1 103 261.261 5 ↓
Lo Low (pH 4.5-6) 0.80 -0.22 -22.33 3 7 0 104 262.269 5 ↓

Analogs

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Popular Name: N-[2-(2,3-dichlorophenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(2,3-dichlorophenoxy)ethyl]…

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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 1.37 -12.91 3 7 0 100 317.132 5 ↓
Mid Mid (pH 6-8) 1.73 -1.18 -53.18 2 7 -1 103 316.124 5 ↓
Lo Low (pH 4.5-6) 1.73 -0.09 -26.97 3 7 0 104 317.132 5 ↓

Analogs

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Popular Name: N-[2-(3,5-dimethylphenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(3,5-dimethylphenoxy)ethyl]…

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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) 0.84 1.67 -10.08 3 7 0 100 276.296 5 ↓
Mid Mid (pH 6-8) 1.30 -0.88 -49.93 2 7 -1 103 275.288 5 ↓
Lo Low (pH 4.5-6) 1.30 0.21 -23.76 3 7 0 104 276.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methylphenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(2-methylphenoxy)ethyl]-5-o…

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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) 0.42 1.09 -9.98 3 7 0 100 262.269 5 ↓
Mid Mid (pH 6-8) 0.87 -1.45 -49.5 2 7 -1 103 261.261 5 ↓
Lo Low (pH 4.5-6) 0.87 -0.36 -23.79 3 7 0 104 262.269 5 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-(4-methylphenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-1-methyl-2-(4-methylphen…

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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) 0.80 1.9 -8.89 3 7 0 100 276.296 5 ↓
Mid Mid (pH 6-8) 1.25 -0.64 -48.88 2 7 -1 103 275.288 5 ↓
Lo Low (pH 4.5-6) 1.25 0.45 -22.32 3 7 0 104 276.296 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-(4-methylphenoxy)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-1-methyl-2-(4-methylphen…

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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) 0.80 1.9 -8.91 3 7 0 100 276.296 5 ↓
Mid Mid (pH 6-8) 1.25 -0.64 -48.89 2 7 -1 103 275.288 5 ↓
Lo Low (pH 4.5-6) 1.25 0.45 -22.31 3 7 0 104 276.296 5 ↓

Parameters Provided:

ring.id = 509648
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 = 509648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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