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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-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide N-[(9-methyltetrazolo[1,5-a]quin…

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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) 2.51 2.12 -27.52 0 7 0 76 408.465 5 ↓

Analogs

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Popular Name: 4-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 4-methyl-N-[(9-methyltetrazolo[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) 2.96 2.44 -27.4 0 7 0 76 422.492 5 ↓
Lo Low (pH 4.5-6) 2.96 12.18 -71.11 1 7 1 78 423.5 5 ↓

Analogs

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Popular Name: 3-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 3-methoxy-N-[(9-methyltetrazolo[…

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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) 2.54 1.68 -23.25 0 8 0 86 438.491 6 ↓
Lo Low (pH 4.5-6) 2.54 10.17 -72.2 1 8 1 87 439.499 6 ↓

Analogs

12493062
12493062

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Popular Name: 2-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 2-fluoro-N-[(9-methyltetrazolo[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) 2.62 3.12 -31.2 0 7 0 76 426.455 5 ↓
Lo Low (pH 4.5-6) 2.62 11.34 -67.41 1 7 1 78 427.463 5 ↓

Analogs

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Popular Name: 4-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 4-fluoro-N-[(9-methyltetrazolo[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) 2.67 2.86 -26.07 0 7 0 76 426.455 5 ↓
Lo Low (pH 4.5-6) 2.67 11.57 -71.74 1 7 1 78 427.463 5 ↓

Analogs

39981334
39981334

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Popular Name: 4-chloro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 4-chloro-N-[(9-methyltetrazolo[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) 3.19 1.97 -25.78 0 7 0 76 442.91 5 ↓
Lo Low (pH 4.5-6) 3.19 12.02 -71.08 1 7 1 78 443.918 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 4-methoxy-N-[(9-methyltetrazolo[…

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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) 2.57 2.16 -27.95 0 8 0 86 438.491 6 ↓
Lo Low (pH 4.5-6) 2.57 10.82 -73.38 1 8 1 87 439.499 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 2-methyl-N-[(9-methyltetrazolo[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) 2.91 2.55 -32.88 0 7 0 76 422.492 5 ↓
Lo Low (pH 4.5-6) 2.91 12.17 -61.53 1 7 1 78 423.5 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 3-fluoro-N-[(9-methyltetrazolo[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) 2.65 2.41 -21.87 0 7 0 76 426.455 5 ↓
Lo Low (pH 4.5-6) 2.65 10.92 -72.41 1 7 1 78 427.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(3-pyridylmethyl)benzamide 3-chloro-N-[(9-methyltetrazolo[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) 3.16 1.52 -21.3 0 7 0 76 442.91 5 ↓
Lo Low (pH 4.5-6) 3.16 11.38 -71.38 1 7 1 78 443.918 5 ↓

Parameters Provided:

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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 = 224592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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