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ZINC Item

Suppliers, Protomers, & Similar Substances

20613893

Analogs

20613894
20613895
20613896

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-diethylaminopropyl)-3-[[(5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]py 1-(3-diethylaminopropyl)-3-[[(5S…

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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)	2.76	10.83	-55.96	5	8	1	87	480.609	12	↓ MOL2 SDF SMILES Flexibase

20613894

Analogs

20613895
20613896
20613893

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-diethylaminopropyl)-3-[[(5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]py 1-(3-diethylaminopropyl)-3-[[(5S…

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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)	2.76	10.12	-54.64	5	8	1	87	480.609	12	↓ MOL2 SDF SMILES Flexibase

20613895

Analogs

20613896
20613893
20613894

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-diethylaminopropyl)-3-[[(5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]py 1-(3-diethylaminopropyl)-3-[[(5R…

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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)	2.76	10.13	-55.53	5	8	1	87	480.609	12	↓ MOL2 SDF SMILES Flexibase

20613896

Analogs

20613893
20613894
20613895

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-diethylaminopropyl)-3-[[(5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]py 1-(3-diethylaminopropyl)-3-[[(5R…

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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)	2.76	10.83	-53.79	5	8	1	87	480.609	12	↓ MOL2 SDF SMILES Flexibase

2088164

Analogs

6631946
6631947

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(3,4-dichlorophenyl)-N-propyl-…

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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)	4.59	7.89	-11.44	2	5	0	59	421.25	5	↓ MOL2 SDF SMILES Flexibase

2088165

Analogs

6631946
6631947

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(3,4-dichlorophenyl)-N-propyl-…

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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)	4.59	7.18	-12.17	2	5	0	59	421.25	5	↓ MOL2 SDF SMILES Flexibase

2088166

Analogs

6631946
6631947

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(3,4-dichlorophenyl)-N-propyl-…

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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)	4.59	7.16	-12.18	2	5	0	59	421.25	5	↓ MOL2 SDF SMILES Flexibase

2088167

Analogs

6631946
6631947

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(3,4-dichlorophenyl)-N-propyl-…

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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)	4.59	7.9	-11.44	2	5	0	59	421.25	5	↓ MOL2 SDF SMILES Flexibase

2088242

Analogs

714870
714871

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]py (5R,7S)-5-(4-bromophenyl)-N-(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)	2.91	6.14	-12.05	2	6	0	68	447.255	6	↓ MOL2 SDF SMILES Flexibase

2088243

Analogs

714870
714871

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]py (5R,7R)-5-(4-bromophenyl)-N-(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)	2.91	5.44	-12.87	2	6	0	68	447.255	6	↓ MOL2 SDF SMILES Flexibase

2088244

Analogs

714870
714871

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]py (5S,7S)-5-(4-bromophenyl)-N-(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)	2.91	5.42	-12.71	2	6	0	68	447.255	6	↓ MOL2 SDF SMILES Flexibase

2088245

Analogs

714870
714871

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]py (5S,7R)-5-(4-bromophenyl)-N-(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)	2.91	6.15	-11.85	2	6	0	68	447.255	6	↓ MOL2 SDF SMILES Flexibase

2088270

Analogs

5200854
5200856
5200859
5200861

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methylphenyl)-N-pr…

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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)	4.36	8.11	-10.12	2	5	0	59	400.832	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.54	8.54	-33.01	3	5	1	64	401.84	5	↓ MOL2 SDF SMILES Flexibase

2088271

Analogs

4952893
4952897
4952902
5200854
5200856

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methylphenyl)-N-pr…

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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)	4.36	7.39	-11.55	2	5	0	59	400.832	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.54	7.89	-31.37	3	5	1	64	401.84	5	↓ MOL2 SDF SMILES Flexibase

2088272

Analogs

4952893
4952897
4952902

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methylphenyl)-N-pr…

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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)	4.36	7.38	-11.54	2	5	0	59	400.832	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.54	7.86	-31.37	3	5	1	64	401.84	5	↓ MOL2 SDF SMILES Flexibase

2088273

Analogs

4952893
4952897
4952902
5200854
5200856

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methylphenyl)-N-pr…

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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)	4.36	8.11	-10.08	2	5	0	59	400.832	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.54	8.52	-32.89	3	5	1	64	401.84	5	↓ MOL2 SDF SMILES Flexibase

2088317

Analogs

647047
647048

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-propyl-7-(tr…

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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)	4.11	7.55	-10.91	2	5	0	59	431.256	5	↓ MOL2 SDF SMILES Flexibase

2088318

Analogs

647047
647048

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-propyl-7-(tr…

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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)	4.11	6.83	-12.65	2	5	0	59	431.256	5	↓ MOL2 SDF SMILES Flexibase

2088319

Analogs

647047
647048

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-propyl-7-(tr…

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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)	4.11	6.82	-12.6	2	5	0	59	431.256	5	↓ MOL2 SDF SMILES Flexibase

2088320

Analogs

647509
647510
647511
647513
648184

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-propyl-7-(tr…

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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)	4.11	7.55	-10.91	2	5	0	59	431.256	5	↓ MOL2 SDF SMILES Flexibase

2088321

Analogs

674662
674664

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-butyl-5-(3,4-dichlorophenyl)-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)	5.15	8.66	-11.35	2	5	0	59	435.277	6	↓ MOL2 SDF SMILES Flexibase

2088322

Analogs

674662
674664

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-butyl-5-(3,4-dichlorophenyl)-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)	5.15	7.95	-11.97	2	5	0	59	435.277	6	↓ MOL2 SDF SMILES Flexibase

2088323

Analogs

674662
674664

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-butyl-5-(3,4-dichlorophenyl)-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)	5.15	7.94	-12.02	2	5	0	59	435.277	6	↓ MOL2 SDF SMILES Flexibase

2088324

Analogs

674662
674664

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-butyl-5-(3,4-dichlorophenyl)-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)	5.15	8.67	-11.31	2	5	0	59	435.277	6	↓ MOL2 SDF SMILES Flexibase

2088402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 5-(4-bromophenyl)-N-butyl-7-(tri…

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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)	4.36	8.6	-11.29	2	5	0	59	445.283	6	↓ MOL2 SDF SMILES Flexibase

2088403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 5-(4-bromophenyl)-N-butyl-7-(tri…

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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)	4.36	7.9	-11.99	2	5	0	59	445.283	6	↓ MOL2 SDF SMILES Flexibase

2088404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 5-(4-bromophenyl)-N-butyl-7-(tri…

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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)	4.36	7.89	-12	2	5	0	59	445.283	6	↓ MOL2 SDF SMILES Flexibase

2088405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 5-(4-bromophenyl)-N-butyl-7-(tri…

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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)	4.36	8.61	-11.29	2	5	0	59	445.283	6	↓ MOL2 SDF SMILES Flexibase

2088415

Analogs

8454407
8454408
8454409

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-pro…

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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)	4.72	8.06	-11.36	2	5	0	59	465.701	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.90	8.48	-36.97	3	5	1	64	466.709	5	↓ MOL2 SDF SMILES Flexibase

2088416

Analogs

8454407
8454408
8454409

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-pro…

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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)	4.72	7.34	-12.81	2	5	0	59	465.701	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.90	7.84	-35.17	3	5	1	64	466.709	5	↓ MOL2 SDF SMILES Flexibase

2088417

Analogs

8454407
8454408
8454409

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-pro…

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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)	4.72	7.32	-12.83	2	5	0	59	465.701	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.90	7.81	-35.23	3	5	1	64	466.709	5	↓ MOL2 SDF SMILES Flexibase

2088418

Analogs

8454407
8454408
8454409

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-pro…

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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)	4.72	8.06	-11.39	2	5	0	59	465.701	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.90	8.47	-36.88	3	5	1	64	466.709	5	↓ MOL2 SDF SMILES Flexibase

2088456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-butyl-3-chlo…

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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)	5.28	8.83	-11.24	2	5	0	59	479.728	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.46	9.26	-37.1	3	5	1	64	480.736	6	↓ MOL2 SDF SMILES Flexibase

2088457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-butyl-3-chlo…

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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)	5.28	8.11	-12.68	2	5	0	59	479.728	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.46	8.61	-35.34	3	5	1	64	480.736	6	↓ MOL2 SDF SMILES Flexibase

2088458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-butyl-3-chlo…

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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)	5.28	8.1	-12.72	2	5	0	59	479.728	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.46	8.58	-35.32	3	5	1	64	480.736	6	↓ MOL2 SDF SMILES Flexibase

2088459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-butyl-3-chlo…

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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)	5.28	8.83	-11.24	2	5	0	59	479.728	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.46	9.24	-36.91	3	5	1	64	480.736	6	↓ MOL2 SDF SMILES Flexibase

2782639

Analogs

2782640
2782641
2782642
2766735
2766733

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7S)-7-(difluoromethyl)-5-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)	2.64	7.07	-6.5	1	3	0	30	249.264	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.64	7.21	-30.1	2	3	1	31	250.272	2	↓ MOL2 SDF SMILES Flexibase

2782640

Analogs

2782641
2782642
2782639
2766735
2766733

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7S)-7-(difluoromethyl)-5-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)	2.64	6.36	-8.99	1	3	0	30	249.264	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.64	6.5	-30.86	2	3	1	31	250.272	2	↓ MOL2 SDF SMILES Flexibase

2782641

Analogs

2782642
2782639
2782640
2766735
2766733

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7R)-7-(difluoromethyl)-5-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)	2.64	6.34	-11.78	1	3	0	30	249.264	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.64	6.49	-29.5	2	3	1	31	250.272	2	↓ MOL2 SDF SMILES Flexibase

2782642

Analogs

2782639
2782640
2782641
2766735

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-(difluoromethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7R)-7-(difluoromethyl)-5-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)	2.64	7.06	-10.24	1	3	0	30	249.264	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.64	7.21	-30.1	2	3	1	31	250.272	2	↓ MOL2 SDF SMILES Flexibase

2782662

Analogs

2783745
2783746
2783747
2783748

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-5-(3,4-dichlorophenyl)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi (5S,7R)-5-(3,4-dichlorophenyl)-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)	4.14	0.73	-13.25	1	3	0	29	332.181	2	↓ MOL2 SDF SMILES Flexibase

2782663

Analogs

2783745
2783746
2783747
2783748

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-5-(3,4-dichlorophenyl)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi (5R,7R)-5-(3,4-dichlorophenyl)-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)	4.14	0.57	-9.73	1	3	0	29	332.181	2	↓ MOL2 SDF SMILES Flexibase

2782664

Analogs

2783745
2783746
2783747
2783748

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-5-(3,4-dichlorophenyl)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi (5S,7S)-5-(3,4-dichlorophenyl)-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)	4.14	0.63	-12.61	1	3	0	29	332.181	2	↓ MOL2 SDF SMILES Flexibase

2782665

Analogs

2783745
2783746
2783747
2783748

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-5-(3,4-dichlorophenyl)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidi (5R,7S)-5-(3,4-dichlorophenyl)-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)	4.14	0.73	-8.81	1	3	0	29	332.181	2	↓ MOL2 SDF SMILES Flexibase

2782681

Analogs

2782682
2782683
2782684
2783792
2783793

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-7-(difluoromethyl)-5-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5R,7S)-7-(difluoromethyl)-5-(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)	2.77	8.24	-8.43	1	4	0	54	288.301	2	↓ MOL2 SDF SMILES Flexibase

2782682

Analogs

2782683
2782684
2783792
2783793
2783794

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-(difluoromethyl)-5-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5S,7S)-7-(difluoromethyl)-5-(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)	2.77	7.52	-10.7	1	4	0	54	288.301	2	↓ MOL2 SDF SMILES Flexibase

2782683

Analogs

2782684
2783792
2783793
2783794
2783795

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-7-(difluoromethyl)-5-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5R,7R)-7-(difluoromethyl)-5-(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)	2.77	7.5	-13.3	1	4	0	54	288.301	2	↓ MOL2 SDF SMILES Flexibase

2782684

Analogs

2783792
2783793
2783794
2783795
2782681

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-7-(difluoromethyl)-5-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (5S,7R)-7-(difluoromethyl)-5-(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)	2.77	8.24	-12.27	1	4	0	54	288.301	2	↓ MOL2 SDF SMILES Flexibase

2782691

Analogs

2782692
2782693
2782694
2782787
2782788

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5S,7R)-5-(3-methoxyphenyl)-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)	3.25	7.07	-8.48	1	4	0	39	311.307	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.25	7.17	-28.83	2	4	1	40	312.315	3	↓ MOL2 SDF SMILES Flexibase

2782692

Analogs

2782693
2782694
2782787
2782788
2782789

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (5R,7R)-5-(3-methoxyphenyl)-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)	3.25	6.35	-9.37	1	4	0	39	311.307	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.25	6.46	-28.52	2	4	1	40	312.315	3	↓ 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

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 = 73456 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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": "73456"        

    });
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