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ZINC Item

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20889449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]-N-(2-fluorophenyl)acetamide 2-[4-(2,5-dimethylphenyl)-1-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)	4.67	11.01	-14.12	1	5	0	64	405.473	4	↓ MOL2 SDF SMILES Flexibase

20889454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]acetamide N-(4-chlorophenyl)-2-[4-(2,5-dim…

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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)	5.23	11.39	-17.18	1	5	0	64	421.928	4	↓ MOL2 SDF SMILES Flexibase

20889458

Analogs

6767383
6767408

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[1-oxo-4-(p-tolyl)-5,6,7,8-tetrahydrophthalazin-2-yl]acetamide N-(2,3-dimethylphenyl)-2-[1-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)	4.97	11.81	-19.26	1	5	0	64	401.51	4	↓ MOL2 SDF SMILES Flexibase

20893765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(m-tolylmethyl)-5,6,7,8-tetrahydrophthalazin-1-one 4-(4-methyl-3-morpholinosulfonyl…

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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)	4.48	9.94	-17.12	0	7	0	82	493.629	5	↓ MOL2 SDF SMILES Flexibase

20893788

Analogs

21785718
15669355

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-ethyl-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-benzyl-N-ethyl-2-methyl-5-(4-o…

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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)	4.32	9.5	-16.37	1	6	0	83	437.565	6	↓ MOL2 SDF SMILES Flexibase

20893791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfona 2-methyl-5-(4-oxo-5,6,7,8-tetrah…

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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	7.68	-15.53	2	6	0	92	463.481	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.87	7.75	-37.66	1	6	-1	94	462.473	5	↓ MOL2 SDF SMILES Flexibase

20893793

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2-methoxyphenyl)-2-methyl-5-(…

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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)	4.01	6.03	-17.11	2	7	0	101	425.51	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.01	6.08	-50.65	1	7	-1	103	424.502	5	↓ MOL2 SDF SMILES Flexibase

20893796

Analogs

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Popular Name: 2-[[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylamino]benzamide 2-[[2-methyl-5-(4-oxo-5,6,7,8-te…

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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)	2.77	3.69	-20.85	4	8	0	135	438.509	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.77	3.7	-57.73	3	8	-1	137	437.501	5	↓ MOL2 SDF SMILES Flexibase

20893799

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesul N-(5-chloro-2,4-dimethoxy-phenyl…

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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)	4.64	5.91	-20.16	2	8	0	110	489.981	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	5.95	-50.76	1	8	-1	112	488.973	6	↓ MOL2 SDF SMILES Flexibase

20893802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonam N-(4-chloro-2-methyl-phenyl)-2-m…

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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)	5.05	7.82	-17.99	2	6	0	92	443.956	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.05	7.86	-43.67	1	6	-1	94	442.948	4	↓ MOL2 SDF SMILES Flexibase

20893805

Analogs

15669361
15669362

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-cycloheptyl-2-methyl-5-(4-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)	4.71	6.68	-14.72	2	6	0	92	415.559	4	↓ MOL2 SDF SMILES Flexibase

20893808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2,4-dimethoxyphenyl)-2-methyl…

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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	5.36	-17.47	2	8	0	110	455.536	6	↓ MOL2 SDF SMILES Flexibase

20893811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(3,5-dimethoxyphenyl)-2-methyl…

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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	5.28	-21.12	2	8	0	110	455.536	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.04	5.35	-52.72	1	8	-1	112	454.528	6	↓ MOL2 SDF SMILES Flexibase

20893814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	4.52	7.8	-21.15	2	8	0	118	467.547	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.52	7.88	-50.59	1	8	-1	120	466.539	7	↓ MOL2 SDF SMILES Flexibase

20893817

Analogs

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Popular Name: N-ethyl-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-phenyl-benzenesulfonamide N-ethyl-2-methyl-5-(4-oxo-5,6,7,…

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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)	4.62	8.58	-16.24	1	6	0	83	423.538	5	↓ MOL2 SDF SMILES Flexibase

20893820

Analogs

21785716
15669376

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2-ethylphenyl)-2-methyl-5-(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)	4.86	7.92	-17.36	2	6	0	92	423.538	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.86	7.99	-46.94	1	6	-1	94	422.53	5	↓ MOL2 SDF SMILES Flexibase

20893823

Analogs

20893857
15669377
15669395

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(4-ethylphenyl)-2-methyl-5-(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)	4.91	8.07	-18.63	2	6	0	92	423.538	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.91	8.14	-48.88	1	6	-1	94	422.53	5	↓ MOL2 SDF SMILES Flexibase

20893826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.89	5.86	-19.64	1	9	0	113	460.556	5	↓ MOL2 SDF SMILES Flexibase

20893828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2-furylmethyl)-2-methyl-5-(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)	2.96	4.98	-19.83	2	7	0	105	399.472	5	↓ MOL2 SDF SMILES Flexibase

20893831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-indolin-1-ylsulfonyl-4-methyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one 4-(3-indolin-1-ylsulfonyl-4-meth…

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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)	4.23	8.6	-15.81	1	6	0	83	421.522	3	↓ MOL2 SDF SMILES Flexibase

20893834

Analogs

21785716
15669395

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide 2-methyl-5-(4-oxo-5,6,7,8-tetrah…

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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)	2.69	1.49	-27.07	4	9	0	152	474.564	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.69	1.56	-51.63	3	9	-1	154	473.556	5	↓ MOL2 SDF SMILES Flexibase

20893837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-o 4-[3-(3,4-dihydro-1H-isoquinolin…

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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)	3.94	8.3	-12.53	1	6	0	83	435.549	3	↓ MOL2 SDF SMILES Flexibase

20893839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one 4-[3-(3,4-dihydro-2H-quinolin-1-…

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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	8.73	-18.5	1	6	0	83	435.549	3	↓ MOL2 SDF SMILES Flexibase

20893842

Analogs

15669364

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2,5-dimethylphenyl)-2-methyl-…

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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)	4.82	7.64	-14.74	2	6	0	92	423.538	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.82	7.72	-42.14	1	6	-1	94	422.53	4	↓ MOL2 SDF SMILES Flexibase

20893843

Analogs

15669370
15669371

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N,2-dimethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-cyclohexyl-N,2-dimethyl-5-(4-o…

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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)	4.45	7.55	-13.12	1	6	0	83	415.559	4	↓ MOL2 SDF SMILES Flexibase

20893845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2,5-dimethoxyphenyl)-2-methyl…

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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	4.92	-16.78	2	8	0	110	455.536	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.04	4.95	-48.27	1	8	-1	112	454.528	6	↓ MOL2 SDF SMILES Flexibase

20893848

Analogs

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Popular Name: 2-methyl-N-(3-methylsulfanylphenyl)-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamid 2-methyl-N-(3-methylsulfanylphen…

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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)	4.41	7.28	-19	2	6	0	92	441.578	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	7.34	-49.83	1	6	-1	94	440.57	5	↓ MOL2 SDF SMILES Flexibase

20893851

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonami N-(4-bromo-3-methyl-phenyl)-2-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)	5.18	7.89	-18.73	2	6	0	92	488.407	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.18	7.97	-45.04	1	6	-1	94	487.399	4	↓ MOL2 SDF SMILES Flexibase

20893854

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonami N-[(2-methoxyphenyl)methyl]-2-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)	3.71	6.22	-18.09	2	7	0	101	439.537	6	↓ MOL2 SDF SMILES Flexibase

20893857

Analogs

20893823
15669377
15669395

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(4-isopropylphenyl)-2-methyl-5…

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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)	5.51	8.57	-18.54	2	6	0	92	437.565	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.51	8.64	-49	1	6	-1	94	436.557	5	↓ MOL2 SDF SMILES Flexibase

20893860

Analogs

15669393
15669381

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Popular Name: N-(3-ethylphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(3-ethylphenyl)-2-methyl-5-(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)	4.89	8.1	-14.43	2	6	0	92	423.538	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.89	8.18	-42.38	1	6	-1	94	422.53	5	↓ MOL2 SDF SMILES Flexibase

20893863

Analogs

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Popular Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1- 4-[3-[4-(4-fluorophenyl)piperazi…

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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)	4.30	7.18	-14.89	1	7	0	86	482.581	4	↓ MOL2 SDF SMILES Flexibase

20893866

Analogs

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Popular Name: 4-[3-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin- 4-[3-[4-(furan-2-carbonyl)pipera…

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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)	2.73	6.01	-20.54	1	9	0	117	482.562	4	↓ MOL2 SDF SMILES Flexibase

20893869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(5-methyl-2-furyl)methyl]-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonam 2-methyl-N-[(5-methyl-2-furyl)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)	3.18	5.76	-17.29	2	7	0	105	413.499	5	↓ MOL2 SDF SMILES Flexibase

20893872

Analogs

20893875

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-methyl-3-[(2R)-2-methylindolin-1-yl]sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one 4-[4-methyl-3-[(2R)-2-methylindo…

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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)	4.56	9.41	-16.58	1	6	0	83	435.549	3	↓ MOL2 SDF SMILES Flexibase

20893875

Analogs

20893872

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Popular Name: 4-[4-methyl-3-[(2S)-2-methylindolin-1-yl]sulfonyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one 4-[4-methyl-3-[(2S)-2-methylindo…

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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)	4.56	8.81	-16.2	1	6	0	83	435.549	3	↓ MOL2 SDF SMILES Flexibase

20893878

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benze N-(4-chloro-2-methoxy-5-methyl-p…

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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)	5.04	6.7	-14.54	2	7	0	101	473.982	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.04	6.72	-42.7	1	7	-1	103	472.974	5	↓ MOL2 SDF SMILES Flexibase

20893881

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfona N-(3-chloro-4-methoxy-phenyl)-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)	4.66	6.56	-15.48	2	7	0	101	459.955	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.66	6.62	-38.95	1	7	-1	103	458.947	5	↓ MOL2 SDF SMILES Flexibase

20893884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]sulfonylamino]phenyl]acetamide N-[4-[[2-methyl-5-(4-oxo-5,6,7,8…

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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)	3.22	5.53	-20.87	3	8	0	121	452.536	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.22	5.6	-48.7	2	8	-1	123	451.528	5	↓ MOL2 SDF SMILES Flexibase

20893887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(4-methoxyphenyl)-2-methyl-5-(…

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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)	4.05	6	-15.66	2	7	0	101	425.51	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.05	6.06	-41.36	1	7	-1	103	424.502	5	↓ MOL2 SDF SMILES Flexibase

20893890

Analogs

20893898

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-(p-tolyl)benzenesulfonamide N,2-dimethyl-5-(4-oxo-5,6,7,8-te…

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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)	4.69	8.17	-17.97	1	6	0	83	423.538	4	↓ MOL2 SDF SMILES Flexibase

20893893

Analogs

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Popular Name: 4-[3-(azocan-1-ylsulfonyl)-4-methyl-phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one 4-[3-(azocan-1-ylsulfonyl)-4-met…

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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)	4.46	7.97	-18.88	1	6	0	83	415.559	3	↓ MOL2 SDF SMILES Flexibase

20893896

Analogs

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Popular Name: N-(4-bromophenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(4-bromophenyl)-2-methyl-5-(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)	4.81	7.26	-18.67	2	6	0	92	474.38	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.81	7.33	-43.8	1	6	-1	94	473.372	4	↓ MOL2 SDF SMILES Flexibase

20893898

Analogs

20893890

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-phenyl-benzenesulfonamide N,2-dimethyl-5-(4-oxo-5,6,7,8-te…

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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)	4.24	8	-15.35	1	6	0	83	409.511	4	↓ MOL2 SDF SMILES Flexibase

20893900

Analogs

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Popular Name: N-(2-chloro-4,6-dimethoxy-phenyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesul N-(2-chloro-4,6-dimethoxy-phenyl…

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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)	4.64	6.82	-14.75	2	8	0	110	489.981	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	6.89	-42.95	1	8	-1	112	488.973	6	↓ MOL2 SDF SMILES Flexibase

20893902

Analogs

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Popular Name: N-(2,2-difluoroethyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(2,2-difluoroethyl)-2-methyl-5…

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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)	2.87	4.12	-17.61	2	6	0	92	383.42	5	↓ MOL2 SDF SMILES Flexibase

20893904

Analogs

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Popular Name: N-(4-bromophenyl)-N,2-dimethyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide N-(4-bromophenyl)-N,2-dimethyl-5…

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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)	5.05	8.04	-17.92	1	6	0	83	488.407	4	↓ MOL2 SDF SMILES Flexibase

20893907

Analogs

21785721
21785724
15669402

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(2-furylmethyl)-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfo N-cyclopentyl-N-(2-furylmethyl)-…

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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)	4.60	9	-14.45	1	7	0	96	467.591	6	↓ MOL2 SDF SMILES Flexibase

20893909

Analogs

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Popular Name: N-[(4-isopropoxyphenyl)methyl]-2-methyl-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfon N-[(4-isopropoxyphenyl)methyl]-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)	4.49	7.67	-17.51	2	7	0	101	467.591	7	↓ MOL2 SDF SMILES Flexibase

65314732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethyl-3-indolin-1-ylsulfonyl-phenyl)-2-methyl-5,6,7,8-tetrahydrophthalazin-1-one 4-(4-ethyl-3-indolin-1-ylsulfony…

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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)	4.77	10.92	-16.49	0	6	0	72	449.576	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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