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ZINC Item

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36333565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-3-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyrazole-5-carboxamide 1-(4-fluorophenyl)-3-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)	3.47	7.29	-8.23	1	4	0	47	357.332	4	↓ MOL2 SDF SMILES Flexibase

13014194

Analogs

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Popular Name: N-tert-butyl-1-(4-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-tert-butyl-1-(4-chlorophenyl)-…

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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)	4.25	8.59	-8.41	1	4	0	47	347.871	3	↓ MOL2 SDF SMILES Flexibase

22757186

Analogs

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Popular Name: N-(2-acetamidoethyl)-1-(4-chlorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(2-acetamidoethyl)-1-(4-chloro…

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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)	2.21	5.62	-13.95	2	6	0	76	376.869	5	↓ MOL2 SDF SMILES Flexibase

22757344

Analogs

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Popular Name: N-(2-acetamidoethyl)-1-(4-fluorophenyl)-3-methyl-thieno[4,5-d]pyrazole-5-carboxamide N-(2-acetamidoethyl)-1-(4-fluoro…

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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)	1.69	5.17	-14.25	2	6	0	76	360.414	5	↓ MOL2 SDF SMILES Flexibase

62606030

Analogs

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Popular Name: 3-ethyl-1-(2-methoxyphenyl)thieno[2,3-c]pyrazole-5-carboxylic 3-ethyl-1-(2-methoxyphenyl)thien…

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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)	3.55	8.66	-52.77	0	5	-1	67	301.347	4	↓ MOL2 SDF SMILES Flexibase

62606031

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2-methoxyphenyl)-3-methyl-thi…

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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	7.94	-52.92	0	5	-1	67	287.32	3	↓ MOL2 SDF SMILES Flexibase

56850274

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-methyl-N-(2-sulfamoylethyl)thieno[2,3-c]pyrazole-5-carboxamide 1-(3-chlorophenyl)-3-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)	2.03	2.25	-22.47	3	7	0	107	398.897	5	↓ MOL2 SDF SMILES Flexibase

4890089

Analogs

2664914

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Popular Name: propylcarbamoylmethyl propylcarbamoylmethyl

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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)	3.87	9.76	-13.22	1	6	0	73	391.88	7	↓ MOL2 SDF SMILES Flexibase

4890091

Analogs

4890093

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Popular Name: 1-carbamoylethyl 1-carbamoylethyl

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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	-0.66	-14.35	2	6	0	87	363.826	5	↓ MOL2 SDF SMILES Flexibase

4890093

Analogs

4890091

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Popular Name: 1-carbamoylethyl 1-carbamoylethyl

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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	-0.71	-14.19	2	6	0	87	363.826	5	↓ MOL2 SDF SMILES Flexibase

69057359

Analogs

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Popular Name: N-(2-acetamidoethyl)-1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide N-(2-acetamidoethyl)-1-(2-chloro…

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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)	2.37	5.73	-16.52	2	6	0	76	376.869	5	↓ MOL2 SDF SMILES Flexibase

69139949

Analogs

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Popular Name: N-(2-diethylaminoethyl)-1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide N-(2-diethylaminoethyl)-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)	3.33	9.47	-43.82	2	5	1	51	375.493	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.33	7.35	-9.11	1	5	0	50	374.485	7	↓ MOL2 SDF SMILES Flexibase

62919762

Analogs

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Popular Name: N-(2-methoxyethyl)-3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)thieno[2,3-c]pyrazole-5-carboxamide N-(2-methoxyethyl)-3-methyl-1-ph…

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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	8.77	-12.72	0	5	0	47	397.422	7	↓ MOL2 SDF SMILES Flexibase

66655125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-N'-(2-ethoxyacetyl)-3-methyl-thieno[2,3-c]pyrazole-5-carbohydrazide 1-(2-chlorophenyl)-N'-(2-ethoxya…

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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)	2.66	7.17	-15.85	2	7	0	85	392.868	6	↓ MOL2 SDF SMILES Flexibase

37295288

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2-chlorophenyl)-3-propyl-thie…

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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)	4.68	10.49	-49.39	0	4	-1	58	319.793	4	↓ MOL2 SDF SMILES Flexibase

37295290

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-isopropyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2-chlorophenyl)-3-isopropyl-t…

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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	10.31	-49.65	0	4	-1	58	319.793	3	↓ MOL2 SDF SMILES Flexibase

37295292

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2-chlorophenyl)-3-ethyl-thien…

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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)	4.18	9.71	-49.59	0	4	-1	58	305.766	3	↓ MOL2 SDF SMILES Flexibase

37295467

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2,4-dimethylphenyl)-3-ethyl-t…

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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)	4.37	10.7	-49.74	0	4	-1	58	299.375	3	↓ MOL2 SDF SMILES Flexibase

37295469

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2,4-dimethylphenyl)-3-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)	3.80	9.98	-49.89	0	4	-1	58	285.348	2	↓ MOL2 SDF SMILES Flexibase

37326983

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2,5-dimethylphenyl)-3-ethyl-t…

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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)	4.58	10.7	-50.12	0	4	-1	58	299.375	3	↓ MOL2 SDF SMILES Flexibase

37326984

Analogs

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Popular Name: 3-methyl-1-(4-nitrophenyl)thieno[2,3-c]pyrazole-5-carboxylic 3-methyl-1-(4-nitrophenyl)thieno…

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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)	2.72	9.08	-45.87	0	7	-1	104	302.291	3	↓ MOL2 SDF SMILES Flexibase

37326985

Analogs

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Popular Name: 3-methyl-1-(2-nitrophenyl)thieno[2,3-c]pyrazole-5-carboxylic 3-methyl-1-(2-nitrophenyl)thieno…

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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	9.53	-56.67	0	7	-1	104	302.291	3	↓ MOL2 SDF SMILES Flexibase

37326986

Analogs

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Popular Name: 3-ethyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic 3-ethyl-1-phenyl-thieno[2,3-c]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)	3.33	9.09	-49.43	0	4	-1	58	271.321	3	↓ MOL2 SDF SMILES Flexibase

37326987

Analogs

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Popular Name: 3-tert-butyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic 3-tert-butyl-1-phenyl-thieno[2,3…

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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)	4.48	10.15	-49.85	0	4	-1	58	299.375	3	↓ MOL2 SDF SMILES Flexibase

37326995

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(4-chlorophenyl)-3-propyl-thie…

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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)	4.51	10.39	-46.07	0	4	-1	58	319.793	4	↓ MOL2 SDF SMILES Flexibase

37326996

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-isopropyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(4-chlorophenyl)-3-isopropyl-t…

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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)	4.50	10.21	-46.32	0	4	-1	58	319.793	3	↓ MOL2 SDF SMILES Flexibase

37326997

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2,4-difluorophenyl)-3-ethyl-t…

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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)	3.80	9.24	-46.39	0	4	-1	58	307.301	3	↓ MOL2 SDF SMILES Flexibase

37326998

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2,4-difluorophenyl)-3-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)	3.23	8.52	-46.59	0	4	-1	58	293.274	2	↓ MOL2 SDF SMILES Flexibase

37326999

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(3,4-dichlorophenyl)-3-ethyl-t…

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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)	4.83	10.06	-44.64	0	4	-1	58	340.211	3	↓ MOL2 SDF SMILES Flexibase

37327008

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2,4-dichlorophenyl)-3-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)	4.26	9.5	-45.82	0	4	-1	58	326.184	2	↓ MOL2 SDF SMILES Flexibase

37327011

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2-fluorophenyl)-3-propyl-thie…

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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)	4.16	9.95	-50.56	0	4	-1	58	303.338	4	↓ MOL2 SDF SMILES Flexibase

37327012

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-isopropyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(2-fluorophenyl)-3-isopropyl-t…

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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	9.77	-50.84	0	4	-1	58	303.338	3	↓ MOL2 SDF SMILES Flexibase

37327013

Analogs

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Popular Name: 3-ethyl-1-(2-fluorophenyl)thieno[2,3-c]pyrazole-5-carboxylic 3-ethyl-1-(2-fluorophenyl)thieno…

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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	9.18	-50.79	0	4	-1	58	289.311	3	↓ MOL2 SDF SMILES Flexibase

37327014

Analogs

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Popular Name: 1-(4-bromophenyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(4-bromophenyl)-3-propyl-thien…

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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	10.5	-45.87	0	4	-1	58	364.244	4	↓ MOL2 SDF SMILES Flexibase

37327015

Analogs

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Popular Name: 1-(4-bromophenyl)-3-isopropyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(4-bromophenyl)-3-isopropyl-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)	4.63	10.31	-46.09	0	4	-1	58	364.244	3	↓ MOL2 SDF SMILES Flexibase

37327016

Analogs

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Popular Name: 1-(4-bromophenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(4-bromophenyl)-3-ethyl-thieno…

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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	9.72	-46.08	0	4	-1	58	350.217	3	↓ MOL2 SDF SMILES Flexibase

37327017

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-ethyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(3-chloro-4-methyl-phenyl)-3-e…

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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	10.19	-47.12	0	4	-1	58	319.793	3	↓ MOL2 SDF SMILES Flexibase

37327018

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(3-chloro-4-methyl-phenyl)-3-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)	4.03	9.47	-49.06	0	4	-1	58	305.766	2	↓ MOL2 SDF SMILES Flexibase

37327019

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(4-fluorophenyl)-3-propyl-thie…

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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)	4.00	9.94	-46.13	0	4	-1	58	303.338	4	↓ MOL2 SDF SMILES Flexibase

37327020

Analogs

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Popular Name: 3-ethyl-1-(4-fluorophenyl)thieno[2,3-c]pyrazole-5-carboxylic 3-ethyl-1-(4-fluorophenyl)thieno…

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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)	3.50	9.16	-46.37	0	4	-1	58	289.311	3	↓ MOL2 SDF SMILES Flexibase

37327021

Analogs

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Popular Name: 1-(o-tolyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(o-tolyl)-3-propyl-thieno[2,3-…

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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)	4.45	10.82	-49.83	0	4	-1	58	299.375	4	↓ MOL2 SDF SMILES Flexibase

37327022

Analogs

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Popular Name: 3-isopropyl-1-(o-tolyl)thieno[2,3-c]pyrazole-5-carboxylic 3-isopropyl-1-(o-tolyl)thieno[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)	4.43	10.63	-50.07	0	4	-1	58	299.375	3	↓ MOL2 SDF SMILES Flexibase

37327023

Analogs

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Popular Name: 1-(m-tolyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(m-tolyl)-3-propyl-thieno[2,3-…

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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)	4.47	10.54	-49.12	0	4	-1	58	299.375	4	↓ MOL2 SDF SMILES Flexibase

37327024

Analogs

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Popular Name: 3-isopropyl-1-(m-tolyl)thieno[2,3-c]pyrazole-5-carboxylic 3-isopropyl-1-(m-tolyl)thieno[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)	4.45	10.35	-49.42	0	4	-1	58	299.375	3	↓ MOL2 SDF SMILES Flexibase

37327025

Analogs

35778543

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-(m-tolyl)thieno[2,3-c]pyrazole-5-carboxylic 3-methyl-1-(m-tolyl)thieno[2,3-c…

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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)	3.40	9.03	-49.48	0	4	-1	58	271.321	2	↓ MOL2 SDF SMILES Flexibase

37327026

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-propyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(3-chlorophenyl)-3-propyl-thie…

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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)	4.70	10.38	-46.87	0	4	-1	58	319.793	4	↓ MOL2 SDF SMILES Flexibase

37327027

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-isopropyl-thieno[2,3-c]pyrazole-5-carboxylic 1-(3-chlorophenyl)-3-isopropyl-t…

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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)	4.68	10.2	-47.17	0	4	-1	58	319.793	3	↓ MOL2 SDF SMILES Flexibase

37327028

Analogs

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Popular Name: 3-propyl-1-(p-tolyl)thieno[2,3-c]pyrazole-5-carboxylic 3-propyl-1-(p-tolyl)thieno[2,3-c…

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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)	4.28	10.55	-48.85	0	4	-1	58	299.375	4	↓ MOL2 SDF SMILES Flexibase

37327029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-1-(p-tolyl)thieno[2,3-c]pyrazole-5-carboxylic 3-isopropyl-1-(p-tolyl)thieno[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)	4.27	10.36	-49.22	0	4	-1	58	299.375	3	↓ MOL2 SDF SMILES Flexibase

37327030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-(p-tolyl)thieno[2,3-c]pyrazole-5-carboxylic 3-ethyl-1-(p-tolyl)thieno[2,3-c]…

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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)	3.78	9.77	-49.13	0	4	-1	58	285.348	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 28221
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 = 28221 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', {
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