ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

21538674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethyl)-N-(3-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-N-(3-methoxyp…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	5.36	-15.31	1	7	0	82	367.405	6	↓ MOL2 SDF SMILES Flexibase

21538676

Analogs

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Popular Name: 6-(2-methoxyethyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-N-(4-methoxyp…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	5.34	-13.99	1	7	0	82	367.405	6	↓ MOL2 SDF SMILES Flexibase

21538680

Analogs

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Popular Name: N-(2,4-difluorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,4-difluorophenyl)-6-(2-meth…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	6.22	-10.13	1	6	0	73	373.359	5	↓ MOL2 SDF SMILES Flexibase

21538681

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,3-dimethylphenyl)-6-(2-meth…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	7.95	-12.55	1	6	0	73	365.433	5	↓ MOL2 SDF SMILES Flexibase

21538683

Analogs

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Popular Name: N-(2-ethylphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2-ethylphenyl)-6-(2-methoxyet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	8.08	-11.79	1	6	0	73	365.433	6	↓ MOL2 SDF SMILES Flexibase

21538685

Analogs

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Popular Name: N-(3-fluorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3-fluorophenyl)-6-(2-methoxye…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	6.11	-14.43	1	6	0	73	355.369	5	↓ MOL2 SDF SMILES Flexibase

21538687

Analogs

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Popular Name: N-(4-fluorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(4-fluorophenyl)-6-(2-methoxye…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	6.1	-12.7	1	6	0	73	355.369	5	↓ MOL2 SDF SMILES Flexibase

21538694

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,5-dimethylphenyl)-6-(2-meth…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	7.93	-12.54	1	6	0	73	365.433	5	↓ MOL2 SDF SMILES Flexibase

21538700

Analogs

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Popular Name: 6-(2-methoxyethyl)-2-methyl-N-(3-methylsulfanylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-2-methyl-N-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	7.08	-14.94	1	6	0	73	383.473	6	↓ MOL2 SDF SMILES Flexibase

21538701

Analogs

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Popular Name: N-(3-ethylphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3-ethylphenyl)-6-(2-methoxyet…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	7.82	-12.41	1	6	0	73	365.433	6	↓ MOL2 SDF SMILES Flexibase

21538703

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3-chloro-4-fluoro-phenyl)-6-(…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	6.6	-14.35	1	6	0	73	389.814	5	↓ MOL2 SDF SMILES Flexibase

21538707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(3,4-difluorophenyl)-6-(2-meth…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	6.15	-15.46	1	6	0	73	373.359	5	↓ MOL2 SDF SMILES Flexibase

21538710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethyl)-N-(2-methoxy-5-methyl-phenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-N-(2-methoxy-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	6.51	-12.67	1	7	0	82	381.432	6	↓ MOL2 SDF SMILES Flexibase

21538712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(4-fluoro-2-methyl-phenyl)-6-(…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.28	-12.23	1	6	0	73	369.396	5	↓ MOL2 SDF SMILES Flexibase

21538714

Analogs

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Popular Name: 6-(2-methoxyethyl)-2-methyl-5-oxo-N-(p-tolyl)-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-2-methyl-5-ox…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	7.05	-12.62	1	6	0	73	351.406	5	↓ MOL2 SDF SMILES Flexibase

21538716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethyl)-2-methyl-N-(o-tolyl)-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-2-methyl-N-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	7.23	-12.37	1	6	0	73	351.406	5	↓ MOL2 SDF SMILES Flexibase

21538718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethyl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-N-(2-methoxyp…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	5.48	-12.59	1	7	0	82	367.405	6	↓ MOL2 SDF SMILES Flexibase

21538719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethyl)-2-methyl-5-oxo-N-phenyl-1,6-naphthyridine-3-carboxamide 6-(2-methoxyethyl)-2-methyl-5-ox…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	6.05	-12.44	1	6	0	73	337.379	5	↓ MOL2 SDF SMILES Flexibase

21538721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide N-(2,5-dimethoxyphenyl)-6-(2-met…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	4.77	-14.81	1	8	0	92	397.431	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 91287
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 = 91287 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=91287&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "91287"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results