ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

14549540

Analogs

36559298

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	10.56	-14.3	1	4	0	49	448.563	5	↓ MOL2 SDF SMILES Flexibase

14549721

Analogs

14549722
14549723
14549724

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	8.62	-11.97	2	4	0	58	434.536	5	↓ MOL2 SDF SMILES Flexibase

14549722

Analogs

14549723
14549724
14549721

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	9.2	-13.03	2	4	0	58	434.536	5	↓ MOL2 SDF SMILES Flexibase

14549723

Analogs

14549724
14549721
14549722

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	9.89	-11.5	2	4	0	58	434.536	5	↓ MOL2 SDF SMILES Flexibase

14549724

Analogs

14549721
14549722
14549723

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	9.33	-12.38	2	4	0	58	434.536	5	↓ MOL2 SDF SMILES Flexibase

14550085

Analogs

36559303

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.90	9.79	-12.64	1	5	0	59	460.599	6	↓ MOL2 SDF SMILES Flexibase

14550313

Analogs

14550314
14550315
14550316

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.66	7.85	-11.19	2	5	0	67	446.572	6	↓ MOL2 SDF SMILES Flexibase

14550314

Analogs

14550315
14550316
14550313

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.66	8.58	-11.78	2	5	0	67	446.572	6	↓ MOL2 SDF SMILES Flexibase

14550315

Analogs

14550316
14550313
14550314

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.66	9.11	-11.01	2	5	0	67	446.572	6	↓ MOL2 SDF SMILES Flexibase

14550316

Analogs

14550313
14550314
14550315

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.66	8.46	-13.34	2	5	0	67	446.572	6	↓ MOL2 SDF SMILES Flexibase

14550677

Analogs

36559309

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.83	11.18	-19.42	1	7	0	95	475.57	6	↓ MOL2 SDF SMILES Flexibase

14550837

Analogs

14550838
14550839
14550840

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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)	4.58	9.24	-18.5	2	7	0	104	461.543	6	↓ MOL2 SDF SMILES Flexibase

14550838

Analogs

14550839
14550840
14550837

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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)	4.58	9.81	-17.03	2	7	0	104	461.543	6	↓ MOL2 SDF SMILES Flexibase

14550839

Analogs

14550840
14550837
14550838

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	10.46	-15.85	2	7	0	104	461.543	6	↓ MOL2 SDF SMILES Flexibase

14550840

Analogs

14550837
14550838
14550839

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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	9.93	-16.7	2	7	0	104	461.543	6	↓ MOL2 SDF SMILES Flexibase

14551157

Analogs

20757445
20757450
36551164
36557133
36559316

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-methyl-4-phenyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.87	10.5	-12.14	1	4	0	49	430.573	5	↓ MOL2 SDF SMILES Flexibase

14551355

Analogs

14551356
14551357
14551358
14458482
14458483

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.63	8.55	-10.33	2	4	0	58	416.546	5	↓ MOL2 SDF SMILES Flexibase

14551356

Analogs

14551357
14551358
14551355
14458482
14458483

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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)	4.63	9.14	-11.39	2	4	0	58	416.546	5	↓ MOL2 SDF SMILES Flexibase

14551357

Analogs

14551358
14551355
14551356
14458482
14458483

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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)	4.63	9.79	-10.14	2	4	0	58	416.546	5	↓ MOL2 SDF SMILES Flexibase

14551358

Analogs

14551355
14551356
14551357
14458482
14458483

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	4.63	9.31	-11.27	2	4	0	58	416.546	5	↓ MOL2 SDF SMILES Flexibase

14551707

Analogs

36559322

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-methyl-4-[4-(methylthio)phenyl]-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	5.30	11.53	-13.02	1	4	0	49	476.667	6	↓ MOL2 SDF SMILES Flexibase

14551993

Analogs

14551994
14551995
14551996

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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)	5.06	9.57	-11.8	2	4	0	58	462.64	6	↓ MOL2 SDF SMILES Flexibase

14551994

Analogs

14551995
14551996
14551993

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	5.06	10.26	-12.26	2	4	0	58	462.64	6	↓ MOL2 SDF SMILES Flexibase

14551995

Analogs

14551996
14551993
14551994

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	5.06	10.81	-10.89	2	4	0	58	462.64	6	↓ MOL2 SDF SMILES Flexibase

14551996

Analogs

14551993
14551994
14551995

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(phenylmethyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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)	5.06	10.15	-12.27	2	4	0	58	462.64	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243724
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 = 243724 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243724&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": "243724"        

    });
</script>

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