ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

14549541

Analogs

14549542
14549543
14549544

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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	8.05	-10.7	2	4	0	58	426.557	4	↓ MOL2 SDF SMILES Flexibase

14549542

Analogs

14549543
14549544
14549541

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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	9.13	-9.63	2	4	0	58	426.557	4	↓ MOL2 SDF SMILES Flexibase

14549543

Analogs

14549544
14549541
14549542

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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	9.33	-9.89	2	4	0	58	426.557	4	↓ MOL2 SDF SMILES Flexibase

14549544

Analogs

14549541
14549542
14549543

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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	8.67	-11.99	2	4	0	58	426.557	4	↓ MOL2 SDF SMILES Flexibase

14549712

Analogs

36559302

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl- 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)	5.54	10.95	-9.87	1	4	0	49	440.584	4	↓ MOL2 SDF SMILES Flexibase

14550086

Analogs

14550087
14550088
14550089

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.16	8.36	-10.02	2	5	0	67	438.593	5	↓ MOL2 SDF SMILES Flexibase

14550087

Analogs

14550088
14550089
14550086

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.16	8.43	-10.5	2	5	0	67	438.593	5	↓ MOL2 SDF SMILES Flexibase

14550088

Analogs

14550089
14550086
14550087

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.16	8.59	-10.01	2	5	0	67	438.593	5	↓ MOL2 SDF SMILES Flexibase

14550089

Analogs

14550086
14550087
14550088

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.16	7.98	-10.99	2	5	0	67	438.593	5	↓ MOL2 SDF SMILES Flexibase

14550308

Analogs

36559308

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl- 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)	5.41	10.18	-9.93	1	5	0	59	452.62	5	↓ MOL2 SDF SMILES Flexibase

14550678

Analogs

14550679
14550680
14550681

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	5.09	8.64	-15.01	2	7	0	104	453.564	5	↓ MOL2 SDF SMILES Flexibase

14550679

Analogs

14550680
14550681
14550678

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	5.09	9.74	-13.62	2	7	0	104	453.564	5	↓ MOL2 SDF SMILES Flexibase

14550680

Analogs

14550681
14550678
14550679

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	5.09	9.93	-14.91	2	7	0	104	453.564	5	↓ MOL2 SDF SMILES Flexibase

14550681

Analogs

14550678
14550679
14550680

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	5.09	9.27	-16.7	2	7	0	104	453.564	5	↓ MOL2 SDF SMILES Flexibase

14550828

Analogs

36559313

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)- 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)	5.34	11.59	-14.09	1	7	0	95	467.591	5	↓ MOL2 SDF SMILES Flexibase

14551158

Analogs

14551159
14551160
14551161
14458233
14458234

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	5.13	8.02	-10.22	2	4	0	58	408.567	4	↓ MOL2 SDF SMILES Flexibase

14551159

Analogs

14551160
14551161
14551158
14458233
14458234

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	5.13	8.75	-10.17	2	4	0	58	408.567	4	↓ MOL2 SDF SMILES Flexibase

14551160

Analogs

14551161
14551158
14551159
14458233
14458234

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	5.13	9.27	-8.78	2	4	0	58	408.567	4	↓ MOL2 SDF SMILES Flexibase

14551161

Analogs

14551158
14551159
14551160
14458233
14458234

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	5.13	8.58	-10.05	2	4	0	58	408.567	4	↓ MOL2 SDF SMILES Flexibase

14551346

Analogs

36551042
36551043
36551189
36551191
36557158

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-phenyl- 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)	5.38	10.88	-8.69	1	4	0	49	422.594	4	↓ MOL2 SDF SMILES Flexibase

14551708

Analogs

14551709
14551710
14551711

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	5.57	8.98	-10.42	2	4	0	58	454.661	5	↓ MOL2 SDF SMILES Flexibase

14551709

Analogs

14551710
14551711
14551708

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	5.57	10.09	-9.77	2	4	0	58	454.661	5	↓ MOL2 SDF SMILES Flexibase

14551710

Analogs

14551711
14551708
14551709

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	5.57	10.29	-10.21	2	4	0	58	454.661	5	↓ MOL2 SDF SMILES Flexibase

14551711

Analogs

14551708
14551709
14551710

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	5.57	9.62	-11.24	2	4	0	58	454.661	5	↓ MOL2 SDF SMILES Flexibase

14551980

Analogs

20758964
36559327

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-[4-(methylthio)phenyl]- 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)	5.81	11.9	-9.87	1	4	0	49	468.688	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243725
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 = 243725 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243725&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": "243725"        

    });
</script>

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