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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: 9-methyl-N-(4-methyl-2-pyridyl)-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxamide 9-methyl-N-(4-methyl-2-pyridyl)-…

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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) 2.13 0.44 -18.54 1 5 0 60 284.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-N-(4-methyl-2-pyridyl)-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxamide 9-methyl-N-(4-methyl-2-pyridyl)-…

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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) 2.13 0.56 -16.14 1 5 0 60 284.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-N-(4-methyl-2-pyridyl)-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxamide 9-methyl-N-(4-methyl-2-pyridyl)-…

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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) 2.13 0.52 -16.06 1 5 0 60 284.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methyl-N-(4-methyl-2-pyridyl)-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxamide 9-methyl-N-(4-methyl-2-pyridyl)-…

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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) 2.13 0.55 -18.56 1 5 0 60 284.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-N-[5-(dimethylamino)-2-pyridyl]-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (2R,3R)-N-[5-(dimethylamino)-2-p…

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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) 2.00 6.88 -13.54 1 6 0 64 313.357 3 ↓

Analogs

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Popular Name: (2R,3S)-N-[5-(dimethylamino)-2-pyridyl]-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (2R,3S)-N-[5-(dimethylamino)-2-p…

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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) 2.00 5.79 -7.06 1 6 0 64 313.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-N-[5-(dimethylamino)-2-pyridyl]-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (2S,3R)-N-[5-(dimethylamino)-2-p…

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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) 2.00 5.94 -7.3 1 6 0 64 313.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-N-[5-(dimethylamino)-2-pyridyl]-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide (2S,3S)-N-[5-(dimethylamino)-2-p…

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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) 2.00 6.91 -13.4 1 6 0 64 313.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-amino-2-pyridyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide (2R)-N-(5-amino-2-pyridyl)-2,3-d…

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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) 1.01 4.12 -17.83 3 6 0 86 271.276 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-amino-2-pyridyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide (2S)-N-(5-amino-2-pyridyl)-2,3-d…

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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) 1.01 4.11 -17.77 3 6 0 86 271.276 2 ↓

Parameters Provided:

ring.id = 3518
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 = 3518 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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