ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22998111

Analogs

36713034
5303387
5303447
5303507

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-methyl-1,8-naphthyridin-2-one 3-(4-benzhydrylpiperazine-1-carb…

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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)	3.04	12.41	-20.4	0	6	0	58	438.531	4	↓ MOL2 SDF SMILES Flexibase

22998113

Analogs

39302211
5303387
5303407
5303447
5303459

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-benzylpiperazine-1-carbonyl)-1-methyl-1,8-naphthyridin-2-one 3-(4-benzylpiperazine-1-carbonyl…

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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)	1.26	7.99	-19.72	0	6	0	58	362.433	3	↓ MOL2 SDF SMILES Flexibase

22998120

Analogs

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Popular Name: 1-benzyl-N-(2-morpholinoethyl)-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-(2-morpholinoethyl)-2…

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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)	1.67	6.69	-12.74	1	7	0	76	392.459	6	↓ MOL2 SDF SMILES Flexibase

22998126

Analogs

15883330

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one 1-[(4-fluorophenyl)methyl]-3-(4-…

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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)	1.62	8.43	-12.76	0	6	0	58	380.423	3	↓ MOL2 SDF SMILES Flexibase

22998129

Analogs

36713739
5304862

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-N-(2-morpholinoethyl)-2-oxo-1,8-naphthyridine-3-carboxamide 1-[(4-fluorophenyl)methyl]-N-(2-…

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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)	1.84	6.75	-12.84	1	7	0	76	410.449	6	↓ MOL2 SDF SMILES Flexibase

22998131

Analogs

5304376
5304378
5304382

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-N-(3-morpholinopropyl)-2-oxo-1,8-naphthyridine-3-carboxamide 1-[(4-fluorophenyl)methyl]-N-(3-…

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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)	2.11	7.53	-12.91	1	7	0	76	424.476	7	↓ MOL2 SDF SMILES Flexibase

22998133

Analogs

36713174
36713539
36713723
36713739
36713823

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-benzylpiperazine-1-carbonyl)-1-[(4-chlorophenyl)methyl]-1,8-naphthyridin-2-one 3-(4-benzylpiperazine-1-carbonyl…

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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)	3.54	12.42	-12.84	0	6	0	58	472.976	5	↓ MOL2 SDF SMILES Flexibase

60322273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide 1-methyl-N-octyl-2-oxo-1,8-napht…

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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)	3.66	8.83	-11.01	1	5	0	64	315.417	8	↓ MOL2 SDF SMILES Flexibase

60322334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide 1-ethyl-N-octyl-2-oxo-1,8-naphth…

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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)	4.04	9.75	-10.86	1	5	0	64	329.444	9	↓ MOL2 SDF SMILES Flexibase

60322389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-octyl-2-oxo-1,8-napht…

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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)	5.25	12.89	-11.42	1	5	0	64	391.515	10	↓ MOL2 SDF SMILES Flexibase

60322401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-[4-[(2,6-dimethylpyri…

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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)	2.98	10.76	-58.67	1	10	-1	138	539.597	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.98	11.14	-20.61	2	10	0	136	540.605	7	↓ MOL2 SDF SMILES Flexibase

60322404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-[4-[(3,4-dimethylisox…

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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	8.23	-58.8	1	10	-1	138	528.57	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.46	8.89	-21.2	2	10	0	136	529.578	7	↓ MOL2 SDF SMILES Flexibase

60322408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-(5-chloro-2,4-disulfamoyl-phenyl)-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-(5-chloro-2,4-disulfa…

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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)	1.41	2.05	-21.11	5	11	0	184	548.002	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.48	1.4	-57.71	4	11	-1	191	546.994	6	↓ MOL2 SDF SMILES Flexibase

60322411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide 1-benzyl-N-[4-[(4-methylpyrimidi…

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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)	2.88	11.39	-62.93	1	10	-1	138	525.57	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.88	11.69	-21	2	10	0	136	526.578	7	↓ MOL2 SDF SMILES Flexibase

60322558

Analogs

15883316

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(diethylamino)-2-methyl-phenyl]-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carboxamide N-[4-(diethylamino)-2-methyl-phe…

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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)	5.17	15.02	-51.02	2	6	0	68	455.582	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.17	14.97	-13.59	1	6	0	67	454.574	7	↓ MOL2 SDF SMILES Flexibase

60322582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-octyl-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carboxamide N-octyl-2-oxo-1-(p-tolylmethyl)-…

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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)	5.70	13.56	-11.46	1	5	0	64	405.542	10	↓ MOL2 SDF SMILES Flexibase

60322595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-1-(p-tolylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide 2-oxo-1-(p-tolylmethyl)-N-[4-(py…

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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)	2.88	11.42	-61.67	1	10	-1	138	525.57	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.88	11.77	-21.37	2	10	0	136	526.578	7	↓ MOL2 SDF SMILES Flexibase

60322599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carb N-[4-[(2,6-dimethylpyrimidin-4-y…

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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	11.4	-58.96	1	10	-1	138	553.624	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.43	11.8	-20.79	2	10	0	136	554.632	7	↓ MOL2 SDF SMILES Flexibase

60322602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carbo N-[4-[(3,4-dimethylisoxazol-5-yl…

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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)	3.91	8.86	-59.13	1	10	-1	138	542.597	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.91	9.52	-21.41	2	10	0	136	543.605	7	↓ MOL2 SDF SMILES Flexibase

60322604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-1-(p-tolylmethyl)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide 2-oxo-1-(p-tolylmethyl)-N-[4-(th…

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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)	3.76	9.95	-56.68	1	9	-1	125	530.611	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.69	10.51	-22.69	2	9	0	126	531.619	6	↓ MOL2 SDF SMILES Flexibase

60322607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-disulfamoyl-phenyl)-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carboxamide N-(5-chloro-2,4-disulfamoyl-phen…

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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)	1.86	2.71	-21.14	5	11	0	184	562.029	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	2.08	-57.62	4	11	-1	191	561.021	6	↓ MOL2 SDF SMILES Flexibase

60322609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1-(p-tolylmethyl)-1,8-naphthyridine-3-carboxam N-[4-[(4-methylpyrimidin-2-yl)su…

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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	12.02	-63.17	1	10	-1	138	539.597	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.32	12.37	-21.25	2	10	0	136	540.605	7	↓ MOL2 SDF SMILES Flexibase

60322616

Analogs

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Popular Name: N,N-bis(2-chloroethyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide N,N-bis(2-chloroethyl)-1-[(4-flu…

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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	12.13	-18.01	0	5	0	55	422.287	7	↓ MOL2 SDF SMILES Flexibase

60322623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one 3-(4-benzhydrylpiperazine-1-carb…

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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)	4.80	16.35	-19.86	0	6	0	58	532.619	6	↓ MOL2 SDF SMILES Flexibase

60322685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide 1-[(4-fluorophenyl)methyl]-N-oct…

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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)	5.42	12.95	-11.27	1	5	0	64	409.505	10	↓ MOL2 SDF SMILES Flexibase

60322690

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxami 1-[(4-fluorophenyl)methyl]-2-oxo…

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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)	2.60	10.81	-61.49	1	10	-1	138	529.533	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.60	11.16	-21.45	2	10	0	136	530.541	7	↓ MOL2 SDF SMILES Flexibase

60322696

Analogs

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Popular Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridi N-[4-[(2,6-dimethylpyrimidin-4-y…

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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)	3.15	10.82	-58.55	1	10	-1	138	557.587	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	11.2	-20.63	2	10	0	136	558.595	7	↓ MOL2 SDF SMILES Flexibase

60322701

Analogs

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Popular Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridin N-[4-[(3,4-dimethylisoxazol-5-yl…

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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)	3.63	8.29	-58.81	1	10	-1	138	546.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.63	8.95	-21.18	2	10	0	136	547.568	7	↓ MOL2 SDF SMILES Flexibase

60322703

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-2-oxo-N-[4-(thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide 1-[(4-fluorophenyl)methyl]-2-oxo…

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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)	3.48	9.34	-56.52	1	9	-1	125	534.574	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.40	9.9	-22.68	2	9	0	126	535.582	6	↓ MOL2 SDF SMILES Flexibase

60322704

Analogs

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Popular Name: N-(5-chloro-2,4-disulfamoyl-phenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide N-(5-chloro-2,4-disulfamoyl-phen…

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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)	1.58	2.11	-21.48	5	11	0	184	565.992	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.65	1.47	-54.77	4	11	-1	191	564.984	6	↓ MOL2 SDF SMILES Flexibase

60322706

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3 1-[(4-fluorophenyl)methyl]-N-[4-…

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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)	3.04	11.45	-62.76	1	10	-1	138	543.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.04	11.75	-21.12	2	10	0	136	544.568	7	↓ MOL2 SDF SMILES Flexibase

60322710

Analogs

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Popular Name: N,N-bis(2-chloroethyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide N,N-bis(2-chloroethyl)-1-[(2-flu…

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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)	2.90	12.54	-18.05	0	5	0	55	422.287	7	↓ MOL2 SDF SMILES Flexibase

60322716

Analogs

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Popular Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one 3-(4-benzhydrylpiperazine-1-carb…

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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)	4.75	16.18	-24.26	0	6	0	58	532.619	6	↓ MOL2 SDF SMILES Flexibase

60322794

Analogs

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Popular Name: N-[4-(diethylamino)-2-methyl-phenyl]-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamid N-[4-(diethylamino)-2-methyl-phe…

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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)	4.84	14.29	-51.07	2	6	0	68	459.545	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.84	14.18	-16.09	1	6	0	67	458.537	7	↓ MOL2 SDF SMILES Flexibase

60322811

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide 1-[(2-fluorophenyl)methyl]-N-oct…

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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)	5.37	12.77	-13.84	1	5	0	64	409.505	10	↓ MOL2 SDF SMILES Flexibase

60322820

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxami 1-[(2-fluorophenyl)methyl]-2-oxo…

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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)	2.55	11.22	-60.28	1	10	-1	138	529.533	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.55	11.57	-21.09	2	10	0	136	530.541	7	↓ MOL2 SDF SMILES Flexibase

60322823

Analogs

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Popular Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridi N-[4-[(2,6-dimethylpyrimidin-4-y…

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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)	3.10	10.65	-61.78	1	10	-1	138	557.587	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	11.02	-22.99	2	10	0	136	558.595	7	↓ MOL2 SDF SMILES Flexibase

60322825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridin N-[4-[(3,4-dimethylisoxazol-5-yl…

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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	8.11	-61.86	1	10	-1	138	546.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.58	8.76	-23.77	2	10	0	136	547.568	7	↓ MOL2 SDF SMILES Flexibase

60322829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-[4-(thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide 1-[(2-fluorophenyl)methyl]-2-oxo…

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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	9.75	-55.43	1	9	-1	125	534.574	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.36	10.31	-22.13	2	9	0	126	535.582	6	↓ MOL2 SDF SMILES Flexibase

60322832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-disulfamoyl-phenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide N-(5-chloro-2,4-disulfamoyl-phen…

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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)	1.53	2.52	-21.06	5	11	0	184	565.992	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.60	1.91	-55.48	4	11	-1	191	564.984	6	↓ MOL2 SDF SMILES Flexibase

60322835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-fluorophenyl)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3 1-[(2-fluorophenyl)methyl]-N-[4-…

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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)	2.99	11.27	-66.13	1	10	-1	138	543.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.99	11.57	-23.31	2	10	0	136	544.568	7	↓ MOL2 SDF SMILES Flexibase

60322841

Analogs

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Popular Name: N,N-bis(2-chloroethyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide N,N-bis(2-chloroethyl)-1-[(4-chl…

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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	12.58	-17.54	0	5	0	55	438.742	7	↓ MOL2 SDF SMILES Flexibase

60322867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(4-chlorophenyl)methyl]-1,8-naphthyridin-2-one 3-(4-benzhydrylpiperazine-1-carb…

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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)	5.32	16.8	-19.45	0	6	0	58	549.074	6	↓ MOL2 SDF SMILES Flexibase

60322936

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxo-1,8-naphthyridine-3-ca 1-[(4-chlorophenyl)methyl]-N-[4-…

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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)	6.95	15.59	-15.66	1	6	0	77	537.044	5	↓ MOL2 SDF SMILES Flexibase

60322950

Analogs

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Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide N-[3,5-bis(trifluoromethyl)pheny…

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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)	5.89	13.65	-10.46	1	5	0	64	525.836	6	↓ MOL2 SDF SMILES Flexibase

60322973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-N-[4-(diethylamino)-2-methyl-phenyl]-2-oxo-1,8-naphthyridine-3-carboxamid 1-[(4-chlorophenyl)methyl]-N-[4-…

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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)	5.40	14.85	-47.94	2	6	0	68	476	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.40	14.81	-12.97	1	6	0	67	474.992	7	↓ MOL2 SDF SMILES Flexibase

60322986

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carb 1-[(4-chlorophenyl)methyl]-N-(6-…

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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	10.25	-22.68	1	8	0	111	525.011	5	↓ MOL2 SDF SMILES Flexibase

60322991

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide 1-[(4-chlorophenyl)methyl]-N-oct…

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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)	5.93	13.41	-10.82	1	5	0	64	425.96	10	↓ MOL2 SDF SMILES Flexibase

60323001

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxami 1-[(4-chlorophenyl)methyl]-2-oxo…

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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)	3.11	11.27	-60.97	1	10	-1	138	545.988	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.11	11.61	-20.95	2	10	0	136	546.996	7	↓ MOL2 SDF SMILES Flexibase

60323006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridi 1-[(4-chlorophenyl)methyl]-N-[4-…

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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)	3.66	11.27	-58.09	1	10	-1	138	574.042	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.66	11.65	-20.06	2	10	0	136	575.05	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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