ZINC 12

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ZINC Item

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44242612

Analogs

198419

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Popular Name: 4-bromo-1,5-diphenyl-pyrazole-3-carboxylic 4-bromo-1,5-diphenyl-pyrazole-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)	3.88	9.86	-57.93	0	4	-1	58	342.172	3	↓ MOL2 SDF SMILES Flexibase

44242614

Analogs

6733665

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Popular Name: 4-iodo-1,5-diphenyl-pyrazole-3-carboxylic 4-iodo-1,5-diphenyl-pyrazole-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)	4.16	10.27	-57.01	0	4	-1	58	389.172	3	↓ MOL2 SDF SMILES Flexibase

44242616

Analogs

434231

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Popular Name: 4-chloro-1,5-diphenyl-pyrazole-3-carboxylic 4-chloro-1,5-diphenyl-pyrazole-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)	3.75	9.8	-58.16	0	4	-1	58	297.721	3	↓ MOL2 SDF SMILES Flexibase

34753035

Analogs

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Popular Name: N-[4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxy-phenyl)pyrazol-1-yl]phenyl]sulfonylacetamide N-[4-[3-(difluoromethyl)-5-(3-fl…

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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)	3.21	3.75	-51.65	0	7	-1	97	438.407	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.21	2.97	-23.11	1	7	0	94	439.415	6	↓ MOL2 SDF SMILES Flexibase

11801546

Analogs

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Popular Name: 1-(3-chlorophenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3-chlorophenyl)-5-phenyl-pyra…

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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	1.27	-57.39	0	4	-1	58	297.721	3	↓ MOL2 SDF SMILES Flexibase

11801548

Analogs

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Popular Name: 1-(3-methoxyphenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3-methoxyphenyl)-5-phenyl-pyr…

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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)	3.39	1.44	-60.81	0	5	-1	67	293.302	4	↓ MOL2 SDF SMILES Flexibase

11801550

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3,4-dimethylphenyl)-5-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)	4.18	2.03	-61.67	0	4	-1	58	291.33	3	↓ MOL2 SDF SMILES Flexibase

11801553

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3-chloro-4-methyl-phenyl)-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)	4.41	1.59	-57.36	0	4	-1	58	311.748	3	↓ MOL2 SDF SMILES Flexibase

11801555

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3,5-dimethylphenyl)-5-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)	4.39	2.07	-61.6	0	4	-1	58	291.33	3	↓ MOL2 SDF SMILES Flexibase

11801556

Analogs

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Popular Name: 1-(4-bromophenyl)-5-phenyl-pyrazole-3-carboxylic 1-(4-bromophenyl)-5-phenyl-pyraz…

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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)	3.95	0.66	-56.32	0	4	-1	58	342.172	3	↓ MOL2 SDF SMILES Flexibase

11801558

Analogs

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Popular Name: 1-(4-ethylphenyl)-5-phenyl-pyrazole-3-carboxylic 1-(4-ethylphenyl)-5-phenyl-pyraz…

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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)	4.06	1.9	-60.5	0	4	-1	58	291.33	4	↓ MOL2 SDF SMILES Flexibase

11801560

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-5-phenyl-pyrazole-3-carboxylic 1-(4-tert-butylphenyl)-5-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)	4.85	2.57	-59.79	0	4	-1	58	319.384	4	↓ MOL2 SDF SMILES Flexibase

11801563

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3-chloro-4-methoxy-phenyl)-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)	4.02	1.34	-56.87	0	5	-1	67	327.747	4	↓ MOL2 SDF SMILES Flexibase

11801565

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-5-phenyl-pyrazole-3-carboxylic 1-(3,4-dichlorophenyl)-5-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	1.14	-56.05	0	4	-1	58	332.166	3	↓ MOL2 SDF SMILES Flexibase

11801579

Analogs

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Popular Name: 1-(m-tolyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(m-tolyl)-5-(p-tolyl)pyrazole-…

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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	2.06	-61.43	0	4	-1	58	291.33	3	↓ MOL2 SDF SMILES Flexibase

11801581

Analogs

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Popular Name: 1,5-bis(p-tolyl)pyrazole-3-carboxylic 1,5-bis(p-tolyl)pyrazole-3-carbo…

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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	2.06	-60.67	0	4	-1	58	291.33	3	↓ MOL2 SDF SMILES Flexibase

11801583

Analogs

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Popular Name: 1-(3-chlorophenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3-chlorophenyl)-5-(p-tolyl)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)	4.46	1.6	-57.22	0	4	-1	58	311.748	3	↓ MOL2 SDF SMILES Flexibase

11801585

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(4-chlorophenyl)-5-(p-tolyl)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)	4.27	1.59	-56.27	0	4	-1	58	311.748	3	↓ MOL2 SDF SMILES Flexibase

11801586

Analogs

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Popular Name: 1-(3-methoxyphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3-methoxyphenyl)-5-(p-tolyl)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)	3.84	1.76	-63.87	0	5	-1	67	307.329	4	↓ MOL2 SDF SMILES Flexibase

11801588

Analogs

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Popular Name: 1-(4-methoxyphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(4-methoxyphenyl)-5-(p-tolyl)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)	3.65	1.76	-59.75	0	5	-1	67	307.329	4	↓ MOL2 SDF SMILES Flexibase

11801590

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3,4-dimethylphenyl)-5-(p-toly…

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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	2.35	-61.44	0	4	-1	58	305.357	3	↓ MOL2 SDF SMILES Flexibase

11801591

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3-chloro-4-methyl-phenyl)-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)	4.86	1.91	-59.91	0	4	-1	58	325.775	3	↓ MOL2 SDF SMILES Flexibase

11801593

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3,5-dimethylphenyl)-5-(p-toly…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	2.39	-61.39	0	4	-1	58	305.357	3	↓ MOL2 SDF SMILES Flexibase

11801595

Analogs

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Popular Name: 1-(4-ethylphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(4-ethylphenyl)-5-(p-tolyl)pyr…

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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	2.22	-60.11	0	4	-1	58	305.357	4	↓ MOL2 SDF SMILES Flexibase

11801598

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(4-tert-butylphenyl)-5-(p-toly…

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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)	5.30	2.89	-59.61	0	4	-1	58	333.411	4	↓ MOL2 SDF SMILES Flexibase

11801600

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3-chloro-4-methoxy-phenyl)-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)	4.47	1.67	-60.09	0	5	-1	67	341.774	4	↓ MOL2 SDF SMILES Flexibase

11801602

Analogs

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Popular Name: 1-(4-fluorophenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(4-fluorophenyl)-5-(p-tolyl)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)	3.76	2.48	-56.2	0	4	-1	58	295.293	3	↓ MOL2 SDF SMILES Flexibase

11801604

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(4-ethoxyphenyl)-5-(p-tolyl)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)	4.03	1.77	-58.66	0	5	-1	67	321.356	5	↓ MOL2 SDF SMILES Flexibase

11801606

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-5-(p-tolyl)pyrazole-3-carboxylic 1-(3,4-dichlorophenyl)-5-(p-toly…

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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)	5.09	1.46	-55.76	0	4	-1	58	346.193	3	↓ MOL2 SDF SMILES Flexibase

11801620

Analogs

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Popular Name: 5-(4-ethylphenyl)-1-(m-tolyl)pyrazole-3-carboxylic 5-(4-ethylphenyl)-1-(m-tolyl)pyr…

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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	2.22	-61.01	0	4	-1	58	305.357	4	↓ MOL2 SDF SMILES Flexibase

11801622

Analogs

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Popular Name: 5-(4-ethylphenyl)-1-(p-tolyl)pyrazole-3-carboxylic 5-(4-ethylphenyl)-1-(p-tolyl)pyr…

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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	2.22	-60.27	0	4	-1	58	305.357	4	↓ MOL2 SDF SMILES Flexibase

11801624

Analogs

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Popular Name: 1-(3-chlorophenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(3-chlorophenyl)-5-(4-ethylphe…

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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)	4.93	1.75	-56.9	0	4	-1	58	325.775	4	↓ MOL2 SDF SMILES Flexibase

11801626

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(4-chlorophenyl)-5-(4-ethylphe…

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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)	4.74	1.75	-55.96	0	4	-1	58	325.775	4	↓ MOL2 SDF SMILES Flexibase

11801628

Analogs

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Popular Name: 5-(4-ethylphenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylic 5-(4-ethylphenyl)-1-(3-methoxyph…

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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	1.92	-63.55	0	5	-1	67	321.356	5	↓ MOL2 SDF SMILES Flexibase

11801629

Analogs

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Popular Name: 5-(4-ethylphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxylic 5-(4-ethylphenyl)-1-(4-methoxyph…

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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)	4.12	1.91	-59.42	0	5	-1	67	321.356	5	↓ MOL2 SDF SMILES Flexibase

11801631

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(3,4-dimethylphenyl)-5-(4-ethy…

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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)	5.10	2.51	-61.03	0	4	-1	58	319.384	4	↓ MOL2 SDF SMILES Flexibase

11801633

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(3-chloro-4-methyl-phenyl)-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)	5.33	2.06	-59.53	0	4	-1	58	339.802	4	↓ MOL2 SDF SMILES Flexibase

11801636

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(3,5-dimethylphenyl)-5-(4-ethy…

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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)	5.31	2.54	-61.12	0	4	-1	58	319.384	4	↓ MOL2 SDF SMILES Flexibase

11801637

Analogs

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Popular Name: 1,5-bis(4-ethylphenyl)pyrazole-3-carboxylic 1,5-bis(4-ethylphenyl)pyrazole-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)	4.97	2.38	-59.77	0	4	-1	58	319.384	5	↓ MOL2 SDF SMILES Flexibase

11801640

Analogs

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Popular Name: 1-(4-tert-butylphenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(4-tert-butylphenyl)-5-(4-ethy…

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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)	5.77	3.05	-59.23	0	4	-1	58	347.438	5	↓ MOL2 SDF SMILES Flexibase

11801642

Analogs

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Popular Name: 5-(4-ethylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic 5-(4-ethylphenyl)-1-(4-fluorophe…

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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)	4.22	2.64	-55.9	0	4	-1	58	309.32	4	↓ MOL2 SDF SMILES Flexibase

11801644

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-5-(4-ethylphenyl)pyrazole-3-carboxylic 1-(4-ethoxyphenyl)-5-(4-ethylphe…

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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	1.93	-58.27	0	5	-1	67	335.383	6	↓ MOL2 SDF SMILES Flexibase

11801658

Analogs

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Popular Name: 1-(3-chlorophenyl)-5-(4-isopropylphenyl)pyrazole-3-carboxylic 1-(3-chlorophenyl)-5-(4-isopropy…

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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)	5.52	2.07	-56.61	0	4	-1	58	339.802	4	↓ MOL2 SDF SMILES Flexibase

11801660

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(4-isopropylphenyl)pyrazole-3-carboxylic 1-(4-chlorophenyl)-5-(4-isopropy…

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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)	5.34	2.07	-55.66	0	4	-1	58	339.802	4	↓ MOL2 SDF SMILES Flexibase

11801661

Analogs

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Popular Name: 5-(4-isopropylphenyl)-1-(3-methoxyphenyl)pyrazole-3-carboxylic 5-(4-isopropylphenyl)-1-(3-metho…

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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)	4.90	2.24	-63.2	0	5	-1	67	335.383	5	↓ MOL2 SDF SMILES Flexibase

11801664

Analogs

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Popular Name: 5-(4-isopropylphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxylic 5-(4-isopropylphenyl)-1-(4-metho…

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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	2.23	-59.19	0	5	-1	67	335.383	5	↓ MOL2 SDF SMILES Flexibase

11801666

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-5-(4-isopropylphenyl)pyrazole-3-carboxylic 1-(3,4-dimethylphenyl)-5-(4-isop…

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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)	5.69	2.83	-60.8	0	4	-1	58	333.411	4	↓ MOL2 SDF SMILES Flexibase

11801667

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-5-(4-isopropylphenyl)pyrazole-3-carboxylic 1-(3,5-dimethylphenyl)-5-(4-isop…

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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)	5.91	2.86	-60.9	0	4	-1	58	333.411	4	↓ MOL2 SDF SMILES Flexibase

11801670

Analogs

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Popular Name: 1-(4-ethylphenyl)-5-(4-isopropylphenyl)pyrazole-3-carboxylic 1-(4-ethylphenyl)-5-(4-isopropyl…

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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)	5.57	2.7	-59.52	0	4	-1	58	333.411	5	↓ MOL2 SDF SMILES Flexibase

11801672

Analogs

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Popular Name: 1-(4-fluorophenyl)-5-(4-isopropylphenyl)pyrazole-3-carboxylic 1-(4-fluorophenyl)-5-(4-isopropy…

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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	2.96	-55.65	0	4	-1	58	323.347	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5804
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 = 5804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "5804"        

    });
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