ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14552417

Analogs

14552418
14552419
14552420
14552529
14552530

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.61	13.23	-10.2	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14552418

Analogs

14552419
14552420
14552529
14552530
14552531

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.61	13.76	-10.18	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14552419

Analogs

14552420
14552529
14552530
14552531
14552532

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.61	14.39	-10.03	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14552420

Analogs

14552529
14552530
14552531
14552417
14552418

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.61	14.1	-10.36	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14552497

Analogs

14552498
14552499
14552500

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.62	12.11	-8.97	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14552498

Analogs

14552499
14552500
14552497

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.62	13.72	-10.04	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14552499

Analogs

14552500
14552497
14552498

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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)	6.62	14.35	-11.09	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14552500

Analogs

14552497
14552498
14552499

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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)	6.62	14.06	-10.87	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14552521

Analogs

14552522
14552523
14552524

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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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)	6.55	10.76	-9.7	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14552522

Analogs

14552523
14552524
14552521

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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)	6.55	11.89	-12.05	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14552523

Analogs

14552524
14552521
14552522

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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)	6.55	12.25	-10.73	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14552524

Analogs

14552521
14552522
14552523

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 2-methyl-N-[3a,4,5,9b…

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)	6.55	11.98	-10.87	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14553575

Analogs

14553576
14553577
14553578
14553687
14553688

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.63	13.18	-11.96	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14553576

Analogs

14553577
14553578
14553687
14553688
14553689

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.63	13.74	-11.47	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14553577

Analogs

14553578
14553687
14553688
14553689
14553690

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.63	14.37	-11.2	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14553578

Analogs

14553687
14553688
14553689
14553575
14553576

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.63	14.09	-11.59	2	3	0	41	430.551	3	↓ MOL2 SDF SMILES Flexibase

14553655

Analogs

14553656
14553657
14553658

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.64	12.1	-9.99	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14553656

Analogs

14553657
14553658
14553655

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.64	13.66	-11.2	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14553657

Analogs

14553658
14553655
14553656

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.64	14.33	-12.19	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14553658

Analogs

14553655
14553656
14553657

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.64	14.81	-12.78	2	4	0	50	460.577	4	↓ MOL2 SDF SMILES Flexibase

14553679

Analogs

14553680
14553681
14553682

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.57	10.88	-11.2	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14553680

Analogs

14553681
14553682
14553679

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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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)	6.57	11.88	-13.16	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14553681

Analogs

14553682
14553679
14553680

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.57	12.22	-12.1	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

14553682

Analogs

14553679
14553680
14553681

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-methyl-N-[3a,4,5,9b-tetrahydro-4-(2-hydroxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]- benzamide, 3-methyl-N-[3a,4,5,9b…

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)	6.57	12.91	-14.06	3	4	0	61	446.55	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 245625
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 = 245625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=245625&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": "245625"        

    });
</script>

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