ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22999889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-cyclopentyl-4-piperidyl)methylsulfamoyl]phenyl]acetamide N-[4-[(1-cyclopentyl-4-piperidyl…

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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)	2.43	6.05	-52.78	3	6	1	80	380.534	6	↓ MOL2 SDF SMILES Flexibase

22999890

Analogs

44509047

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2,5-dimethoxy-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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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)	3.25	6.31	-47.56	2	6	1	69	383.534	7	↓ MOL2 SDF SMILES Flexibase

22999891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2-nitro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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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)	3.12	8.87	-45.18	2	7	1	96	368.479	6	↓ MOL2 SDF SMILES Flexibase

22999892

Analogs

36880834

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2,5-difluoro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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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)	3.46	7.2	-45.13	2	4	1	51	359.462	5	↓ MOL2 SDF SMILES Flexibase

22999893

Analogs

36880898

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2-fluoro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.32	7.19	-42.57	2	4	1	51	341.472	5	↓ MOL2 SDF SMILES Flexibase

22999894

Analogs

44509125

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(1-cyclopentyl-4-piperidyl)methyl]benzenesulfonamide 2-bromo-N-[(1-cyclopentyl-4-pipe…

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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)	3.97	8.18	-41.82	2	4	1	51	402.378	5	↓ MOL2 SDF SMILES Flexibase

22999895

Analogs

36880899

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-4-fluoro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.37	7.49	-43.69	2	4	1	51	341.472	5	↓ MOL2 SDF SMILES Flexibase

22999896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2,3,5,6-tetramethyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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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)	4.79	9.93	-42.65	2	4	1	51	379.59	5	↓ MOL2 SDF SMILES Flexibase

22999897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2,4,6-trimethyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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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)	4.41	9.58	-43.58	2	4	1	51	365.563	5	↓ MOL2 SDF SMILES Flexibase

22999899

Analogs

44509043

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1-cyclopentyl-4-piperidyl)methyl]benzenesulfonamide 4-bromo-N-[(1-cyclopentyl-4-pipe…

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)	4.02	8.05	-43.24	2	4	1	51	402.378	5	↓ MOL2 SDF SMILES Flexibase

22999900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-4-methyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.66	8.1	-42.92	2	4	1	51	337.509	5	↓ MOL2 SDF SMILES Flexibase

22999901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1-cyclopentyl-4-piperidyl)methyl]benzenesulfonamide 4-chloro-N-[(1-cyclopentyl-4-pip…

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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)	3.89	7.95	-43.25	2	4	1	51	357.927	5	↓ MOL2 SDF SMILES Flexibase

22999902

Analogs

44503880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-4-nitro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.17	8.1	-47.81	2	7	1	96	368.479	6	↓ MOL2 SDF SMILES Flexibase

22999903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2,4-dimethyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	4.03	8.73	-43.8	2	4	1	51	351.536	5	↓ MOL2 SDF SMILES Flexibase

22999904

Analogs

44503886

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-3-nitro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.14	7.82	-47.39	2	7	1	96	368.479	6	↓ MOL2 SDF SMILES Flexibase

22999905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2-methyl-5-nitro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.54	8.72	-50.22	2	7	1	96	382.506	6	↓ MOL2 SDF SMILES Flexibase

22999908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2,5-dimethyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	4.03	8.62	-44.1	2	4	1	51	351.536	5	↓ MOL2 SDF SMILES Flexibase

22999909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-5-fluoro-2-methyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.75	8.16	-45.69	2	4	1	51	355.499	5	↓ MOL2 SDF SMILES Flexibase

22999910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-2-ethoxy-5-methyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	4.02	8.58	-45.65	2	5	1	60	381.562	7	↓ MOL2 SDF SMILES Flexibase

22999911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-4-methoxy-3,5-dimethyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	4.02	8.19	-44.5	2	5	1	60	381.562	6	↓ MOL2 SDF SMILES Flexibase

22999912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-cyclopentyl-4-piperidyl)methylsulfamoyl]phenyl]propanamide N-[4-[(1-cyclopentyl-4-piperidyl…

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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	6.84	-52.63	3	6	1	80	394.561	7	↓ MOL2 SDF SMILES Flexibase

22999913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-cyclopentyl-4-piperidyl)methylsulfamoyl]phenyl]butanamide N-[4-[(1-cyclopentyl-4-piperidyl…

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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)	3.83	7.6	-52.42	3	6	1	80	408.588	8	↓ MOL2 SDF SMILES Flexibase

22999914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1-cyclopentyl-4-piperidyl)methylsulfamoyl]-3-methyl-phenyl]acetamide N-[4-[(1-cyclopentyl-4-piperidyl…

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)	2.80	6.91	-50.84	3	6	1	80	394.561	6	↓ MOL2 SDF SMILES Flexibase

22999917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-3-methyl-4-propoxy-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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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)	4.52	8.91	-43.92	2	5	1	60	395.589	8	↓ MOL2 SDF SMILES Flexibase

22999918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-4-ethoxy-3,5-dimethyl-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	4.39	8.87	-43.7	2	5	1	60	395.589	7	↓ MOL2 SDF SMILES Flexibase

22999919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-5-ethyl-2-methoxy-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	4.11	8.43	-45.27	2	5	1	60	381.562	7	↓ MOL2 SDF SMILES Flexibase

49509344

Analogs

36880833

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-3,4-difluoro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.46	7.37	-43.99	2	4	1	51	359.462	5	↓ MOL2 SDF SMILES Flexibase

49509346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-cyclopentyl-4-piperidyl)methyl]-3,5-difluoro-benzenesulfonamide N-[(1-cyclopentyl-4-piperidyl)me…

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)	3.46	7.39	-41.88	2	4	1	51	359.462	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 129797
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 = 129797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=129797&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": "129797"        

    });
</script>

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