ZINC 12

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ZINC Item

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60562094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-3-[[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]sulfamoyl]phenyl]acetamide N-[4-methyl-3-[[(1R,2S,4R)-1,7,7…

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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)	3.27	5.54	-12.4	2	5	0	75	364.511	4	↓ MOL2 SDF SMILES Flexibase

13679834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-methoxy-5-[[(1R,2R,4S)-norbornan-2-yl]sulfamoyl]benzamide N-isopropyl-2-methoxy-5-[[(1R,2R…

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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)	2.94	5.02	-14.08	2	6	0	85	366.483	6	↓ MOL2 SDF SMILES Flexibase

13679836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-methoxy-5-[[(1R,2S,4S)-norbornan-2-yl]sulfamoyl]benzamide N-isopropyl-2-methoxy-5-[[(1R,2S…

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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)	2.94	5.24	-13.98	2	6	0	85	366.483	6	↓ MOL2 SDF SMILES Flexibase

5027817

Analogs

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Popular Name: 3-nitro-N-norbornan-2-yl-benzenesulfonamide 3-nitro-N-norbornan-2-yl-benzene…

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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)	2.47	5.26	-11.9	1	6	0	92	296.348	4	↓ MOL2 SDF SMILES Flexibase

5027818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-N-norbornan-2-yl-benzenesulfonamide 3-nitro-N-norbornan-2-yl-benzene…

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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)	2.47	5.48	-12.13	1	6	0	92	296.348	4	↓ MOL2 SDF SMILES Flexibase

5027835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-nitro-N-norbornan-2-yl-benzenesulfonamide 4-nitro-N-norbornan-2-yl-benzene…

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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)	2.50	-3.82	-9.64	1	6	0	91	296.348	4	↓ MOL2 SDF SMILES Flexibase

69104562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-nitro-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2-nitro-N-[(1S,2R,4S)-1,7,7-trim…

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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)	3.58	7.39	-12.74	1	6	0	92	338.429	4	↓ MOL2 SDF SMILES Flexibase

69104564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-nitro-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2-nitro-N-[(1R,2R,4R)-1,7,7-trim…

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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)	3.58	7.53	-12.74	1	6	0	92	338.429	4	↓ MOL2 SDF SMILES Flexibase

69104565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 4-acetyl-N-[(1R,2R,4R)-1,7,7-tri…

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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)	3.57	6.65	-11.19	1	4	0	63	335.469	4	↓ MOL2 SDF SMILES Flexibase

69104567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 4-acetyl-N-[(1R,2S,4R)-1,7,7-tri…

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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)	3.57	6.29	-11.11	1	4	0	63	335.469	4	↓ MOL2 SDF SMILES Flexibase

69104568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 3-acetyl-N-[(1R,2R,4R)-1,7,7-tri…

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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	6.64	-13.91	1	4	0	63	335.469	4	↓ MOL2 SDF SMILES Flexibase

69104570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 3-acetyl-N-[(1R,2S,4R)-1,7,7-tri…

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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	6.29	-13.87	1	4	0	63	335.469	4	↓ MOL2 SDF SMILES Flexibase

69104572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2-methoxy-N-[(1S,2R,4S)-1,7,7-tr…

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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)	3.68	5.59	-10.18	1	4	0	55	323.458	4	↓ MOL2 SDF SMILES Flexibase

69104574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2-methoxy-N-[(1R,2R,4R)-1,7,7-tr…

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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)	3.68	5.91	-10.13	1	4	0	55	323.458	4	↓ MOL2 SDF SMILES Flexibase

69104576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2,4-difluoro-N-[(1S,2R,4S)-1,7,7…

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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)	3.93	5.62	-7.05	1	3	0	46	329.412	3	↓ MOL2 SDF SMILES Flexibase

69104578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2,4-difluoro-N-[(1R,2R,4R)-1,7,7…

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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)	3.93	5.86	-6.93	1	3	0	46	329.412	3	↓ MOL2 SDF SMILES Flexibase

69104580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 3-cyano-N-[(1S,2R,4S)-1,7,7-trim…

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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)	3.40	6.29	-11.05	1	4	0	70	318.442	3	↓ MOL2 SDF SMILES Flexibase

69104582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 3-cyano-N-[(1R,2R,4R)-1,7,7-trim…

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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)	3.40	6.57	-10.81	1	4	0	70	318.442	3	↓ MOL2 SDF SMILES Flexibase

69104584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 4-cyano-N-[(1S,2R,4S)-1,7,7-trim…

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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)	3.43	6.29	-9.66	1	4	0	70	318.442	3	↓ MOL2 SDF SMILES Flexibase

69104586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 4-cyano-N-[(1R,2R,4R)-1,7,7-trim…

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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)	3.43	6.57	-9.45	1	4	0	70	318.442	3	↓ MOL2 SDF SMILES Flexibase

69104587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethoxy-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2,5-dimethoxy-N-[(1S,2R,4S)-1,7,…

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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)	3.71	4.87	-11.83	1	5	0	65	353.484	5	↓ MOL2 SDF SMILES Flexibase

69104589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethoxy-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 2,5-dimethoxy-N-[(1R,2R,4R)-1,7,…

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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)	3.71	5.2	-11.75	1	5	0	65	353.484	5	↓ MOL2 SDF SMILES Flexibase

69104590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 3,4-dimethoxy-N-[(1S,2R,4S)-1,7,…

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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)	3.32	5.1	-10.41	1	5	0	65	353.484	5	↓ MOL2 SDF SMILES Flexibase

69104593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]benzenesulfonamide 3,4-dimethoxy-N-[(1R,2R,4R)-1,7,…

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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)	3.32	5.38	-10.13	1	5	0	65	353.484	5	↓ MOL2 SDF SMILES Flexibase

69104595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2,2-trifluoroethyl)-4-[[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]sulfamoyl]benzamide N-(2,2,2-trifluoroethyl)-4-[[(1S…

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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)	3.79	5.48	-11.14	2	5	0	75	418.481	6	↓ MOL2 SDF SMILES Flexibase

69104597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2,2-trifluoroethyl)-4-[[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]sulfamoyl]benzamide N-(2,2,2-trifluoroethyl)-4-[[(1R…

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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)	3.79	5.76	-10.89	2	5	0	75	418.481	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 206148
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 = 206148 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=206148&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": "206148"        

    });
</script>

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