ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13668904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonyl-amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(4-ethoxyphenyl)-(4-fluorophe…

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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)	4.50	7.19	-14.16	1	8	0	88	527.618	10	↓ MOL2 SDF SMILES Flexibase

13669043

Analogs

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Popular Name: 2-[benzenesulfonyl-(2,4-dimethoxyphenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(2,4-dimethox…

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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)	3.94	5.85	-19.35	1	9	0	97	525.627	10	↓ MOL2 SDF SMILES Flexibase

13669728

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)-(p-tolylsulfonyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(3,4-dimethylphenyl)-(p-tolyl…

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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)	5.18	8.75	-18.92	1	7	0	79	507.656	8	↓ MOL2 SDF SMILES Flexibase

13669774

Analogs

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Popular Name: 2-[(2,3-dimethylphenyl)-(p-tolylsulfonyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(2,3-dimethylphenyl)-(p-tolyl…

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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)	5.15	9.29	-13.79	1	7	0	79	507.656	8	↓ MOL2 SDF SMILES Flexibase

13670207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chloro-2-methyl-phenyl)-(p-tolylsulfonyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(4-chloro-2-methyl-phenyl)-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.41	8.82	-18.51	1	7	0	79	528.074	8	↓ MOL2 SDF SMILES Flexibase

13670263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl-(4-nitrophenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(4-nitropheny…

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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)	3.86	7.53	-20.02	1	10	0	125	510.572	9	↓ MOL2 SDF SMILES Flexibase

13670682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl-(5-chloro-2-methyl-phenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(5-chloro-2-m…

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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)	4.96	8.22	-20.91	1	7	0	79	514.047	8	↓ MOL2 SDF SMILES Flexibase

13670912

Analogs

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Popular Name: 2-[benzenesulfonyl-(4-chlorophenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(4-chlorophen…

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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)	4.58	7.38	-17.77	1	7	0	79	500.02	8	↓ MOL2 SDF SMILES Flexibase

13671225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl-(3-nitrophenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(3-nitropheny…

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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)	3.84	7.85	-30.74	1	10	0	125	510.572	9	↓ MOL2 SDF SMILES Flexibase

13671256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)sulfonyl-(p-tolyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(4-chlorophenyl)sulfonyl-(p-t…

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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)	5.03	8.1	-13.28	1	7	0	79	514.047	8	↓ MOL2 SDF SMILES Flexibase

13672188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(4-fluorophenyl)-(4-methoxyph…

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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)	4.12	6.15	-18.5	1	8	0	88	513.591	9	↓ MOL2 SDF SMILES Flexibase

13672502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl-(2,4-dimethylphenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(2,4-dimethyl…

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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)	4.73	8.37	-19.61	1	7	0	79	493.629	8	↓ MOL2 SDF SMILES Flexibase

13673228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethoxyphenyl)sulfonyl-phenyl-amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(3,4-dimethoxyphenyl)sulfonyl…

Find On: PubMed — Wikipedia — Google

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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)	3.55	6.13	-17.39	1	9	0	97	525.627	10	↓ MOL2 SDF SMILES Flexibase

13674175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl-(2-fluorophenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(2-fluorophen…

Find On: PubMed — Wikipedia — Google

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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)	4.02	7.23	-23.66	1	7	0	79	483.565	8	↓ MOL2 SDF SMILES Flexibase

13675116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzenesulfonyl-phenyl-amino)-N-[(4-morpholinophenyl)methyl]acetamide 2-(benzenesulfonyl-phenyl-amino)…

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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)	3.90	7.17	-20.46	1	7	0	79	465.575	8	↓ MOL2 SDF SMILES Flexibase

13675692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)sulfonyl-phenyl-amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(4-chlorophenyl)sulfonyl-phen…

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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)	4.58	7.69	-18.75	1	7	0	79	500.02	8	↓ MOL2 SDF SMILES Flexibase

13675717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl-(3-chloro-2-methyl-phenyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[benzenesulfonyl-(3-chloro-2-m…

Find On: PubMed — Wikipedia — Google

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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)	4.93	8.14	-17.54	1	7	0	79	514.047	8	↓ MOL2 SDF SMILES Flexibase

13676091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethoxyphenyl)sulfonyl-(p-tolyl)amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(4-ethoxyphenyl)sulfonyl-(p-t…

Find On: PubMed — Wikipedia — Google

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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)	4.78	7.76	-18.79	1	8	0	88	523.655	10	↓ MOL2 SDF SMILES Flexibase

13676428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-methoxyphenyl)-(4-methoxyphenyl)sulfonyl-amino]-N-[(4-morpholinophenyl)methyl]acetamide 2-[(2-methoxyphenyl)-(4-methoxyp…

Find On: PubMed — Wikipedia — Google

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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)	3.97	7.11	-14.12	1	9	0	97	525.627	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 149690
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 = 149690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=149690&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": "149690"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results