ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

9705966

Analogs

9705967
9705968
9705969

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(m-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

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Activity (Go SEA)

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)	2.38	-3.91	-13.84	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9705967

Analogs

9705968
9705969
9705966

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(m-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.38	-3.67	-12.9	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9705968

Analogs

9705969
9705966
9705967

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(m-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.38	-3.69	-13.04	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9705969

Analogs

9705966
9705967
9705968

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(m-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.38	-3.92	-13.56	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9706052

Analogs

9706053
9706054
9706055
9705880
9705881

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(p-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.41	-3.89	-13.48	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9706053

Analogs

9706054
9706055
9705880
9705881
9705882

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(p-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.41	-3.64	-13.02	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9706054

Analogs

9706055
9705880
9705881
9705882
9705883

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(p-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.41	-3.7	-13.24	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9706055

Analogs

9705880
9705881
9705882
9705883
9706052

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-(p-tolylcarbamoyl)benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.41	-3.9	-13.77	3	10	0	128	479.489	8	↓ MOL2 SDF SMILES Flexibase

9706138

Analogs

9706139
9706140
9706141

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(2-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.08	-14.26	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706139

Analogs

9706140
9706141
9706138

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(2-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.04	-14.74	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706140

Analogs

9706141
9706138
9706139

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(2-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-3.89	-13.84	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706141

Analogs

9706138
9706139
9706140

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(2-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.08	-14.3	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706225

Analogs

9706226
9706227
9706228

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(3-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.99	-4.21	-13.96	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706226

Analogs

9706227
9706228
9706225

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(3-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.99	-3.95	-15.88	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706227

Analogs

9706228
9706225
9706226

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(3-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.99	-4.02	-13.46	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706228

Analogs

9706225
9706226
9706227

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(3-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.99	-4.2	-16.88	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706311

Analogs

9706312
9706313
9706314

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(4-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.02	-4.2	-14.04	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706312

Analogs

9706313
9706314
9706311

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(4-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.02	-3.96	-14.27	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706313

Analogs

9706314
9706311
9706312

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(4-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.02	-4.01	-13.82	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

9706314

Analogs

9706311
9706312
9706313

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2,5-dimethoxy-5H-furan-2-yl)methyl]-N-[2-[(4-methoxyphenyl)carbamoyl]benzofuran-3-yl]-oxamide N'-[(2,5-dimethoxy-5H-furan-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.02	-4.21	-14.97	3	11	0	137	495.488	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 7757
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 = 7757 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7757&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": "7757"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results