ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

20614493

Analogs

36615406

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethoxycarbonylpiperidine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic 5-(4-ethoxycarbonylpiperidine-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)	0.57	5.17	-56.64	0	8	-1	105	308.314	5	↓ MOL2 SDF SMILES Flexibase

20614722

Analogs

20614724
36615426
36615427

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Popular Name: 5-[(3R)-3-ethoxycarbonylpiperidine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic 5-[(3R)-3-ethoxycarbonylpiperidi…

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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)	0.57	5.23	-57.71	0	8	-1	105	308.314	5	↓ MOL2 SDF SMILES Flexibase

20614724

Analogs

36615426
36615427
20614722

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Popular Name: 5-[(3S)-3-ethoxycarbonylpiperidine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic 5-[(3S)-3-ethoxycarbonylpiperidi…

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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)	0.57	5.23	-56.43	0	8	-1	105	308.314	5	↓ MOL2 SDF SMILES Flexibase

36972865

Analogs

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Popular Name: 1-(1H-pyrazole-3-carbonyl)piperidine-4-carboxylic 1-(1H-pyrazole-3-carbonyl)piperi…

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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)	0.02	3.76	-47.78	1	6	-1	89	222.224	2	↓ MOL2 SDF SMILES Flexibase

36974901

Analogs

44613489
44613492
49221659

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Popular Name: (2R)-1-(1H-pyrazole-3-carbonyl)piperidine-2-carboxylic (2R)-1-(1H-pyrazole-3-carbonyl)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)	-1.32	4.89	-61	1	6	-1	89	222.224	2	↓ MOL2 SDF SMILES Flexibase

36974903

Analogs

44613489
44613492
49221659

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1H-pyrazole-3-carbonyl)piperidine-2-carboxylic (2S)-1-(1H-pyrazole-3-carbonyl)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)	-1.32	4.97	-61.78	1	6	-1	89	222.224	2	↓ MOL2 SDF SMILES Flexibase

2781609

Analogs

2781610
28575770
28575771
28575772

Draw Identity 99% 90% 80% 70%

Popular Name: (2-ethylpyrazol-3-yl)-[(3R)-3-methylpiperidino]methanone (2-ethylpyrazol-3-yl)-[(3R)-3-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)	1.59	0.66	-7.91	0	4	0	38	221.304	2	↓ MOL2 SDF SMILES Flexibase

2781610

Analogs

28575770
28575771
28575772
2781609

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Popular Name: (2-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidino]methanone (2-ethylpyrazol-3-yl)-[(3S)-3-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)	1.59	0.71	-7.56	0	4	0	38	221.304	2	↓ MOL2 SDF SMILES Flexibase

2781656

Analogs

16971817
2780783
2780782

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Popular Name: [(2S,6S)-2,6-dimethylpiperidino]-(2-ethylpyrazol-3-yl)methanone [(2S,6S)-2,6-dimethylpiperidino]…

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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)	2.01	1.06	-6.83	0	4	0	38	235.331	2	↓ MOL2 SDF SMILES Flexibase

2781657

Analogs

16971817
2780783
2780782

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Popular Name: [(2R,6R)-2,6-dimethylpiperidino]-(2-ethylpyrazol-3-yl)methanone [(2R,6R)-2,6-dimethylpiperidino]…

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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)	2.01	1.07	-6.8	0	4	0	38	235.331	2	↓ MOL2 SDF SMILES Flexibase

2781687

Analogs

4652490
17748548
40770972
2780256
2780255

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-2-ethyl-pyrazol-3-yl)-(4-methylpiperidino)methanone (4-chloro-2-ethyl-pyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	0.62	-7.97	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

2807069

Analogs

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Popular Name: (4-chloro-2-methyl-pyrazol-3-yl)-(4-methylpiperidino)methanone (4-chloro-2-methyl-pyrazol-3-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	0.55	-7.77	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

2807299

Analogs

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Popular Name: [(3S)-3-methylpiperidino]-(2-methylpyrazol-3-yl)methanone [(3S)-3-methylpiperidino]-(2-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)	1.21	0.62	-8.4	0	4	0	38	207.277	1	↓ MOL2 SDF SMILES Flexibase

2807300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methylpiperidino]-(2-methylpyrazol-3-yl)methanone [(3R)-3-methylpiperidino]-(2-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)	1.21	0.54	-8.3	0	4	0	38	207.277	1	↓ MOL2 SDF SMILES Flexibase

62842426

Analogs

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Popular Name: 4-methyl-1-(1H-pyrazole-3-carbonyl)piperidine-4-carboxylic 4-methyl-1-(1H-pyrazole-3-carbon…

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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)	0.26	4.08	-49.4	1	6	-1	89	236.251	2	↓ MOL2 SDF SMILES Flexibase

62842605

Analogs

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Popular Name: 4-methyl-1-(2-methylpyrazole-3-carbonyl)piperidine-4-carboxylic 4-methyl-1-(2-methylpyrazole-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)	0.33	5	-50.05	0	6	-1	78	250.278	2	↓ MOL2 SDF SMILES Flexibase

62844777

Analogs

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Popular Name: 4-ethyl-1-(1H-pyrazole-3-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(1H-pyrazole-3-carbony…

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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)	0.59	4.53	-48.09	1	6	-1	89	250.278	3	↓ MOL2 SDF SMILES Flexibase

62844830

Analogs

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Popular Name: 4-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(2-methylpyrazole-3-ca…

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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)	0.66	5.43	-48.93	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62845127

Analogs

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Popular Name: 4-propyl-1-(1H-pyrazole-3-carbonyl)piperidine-4-carboxylic 4-propyl-1-(1H-pyrazole-3-carbon…

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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)	1.15	5.3	-48.41	1	6	-1	89	264.305	4	↓ MOL2 SDF SMILES Flexibase

62845145

Analogs

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Popular Name: 1-(2-methylpyrazole-3-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(2-methylpyrazole-3-carbonyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	6.2	-49.29	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

62868812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1H-pyrazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(1H-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)	0.26	4.52	-50.28	1	6	-1	89	236.251	2	↓ MOL2 SDF SMILES Flexibase

62868813

Analogs

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Popular Name: (3R)-3-methyl-1-(1H-pyrazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(1H-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)	0.26	4.54	-50.22	1	6	-1	89	236.251	2	↓ MOL2 SDF SMILES Flexibase

62869336

Analogs

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Popular Name: (3S)-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(2-methylpyrazol…

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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)	0.33	5.44	-51.41	0	6	-1	78	250.278	2	↓ MOL2 SDF SMILES Flexibase

62869337

Analogs

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Popular Name: (3R)-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(2-methylpyrazol…

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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)	0.33	5.44	-50.94	0	6	-1	78	250.278	2	↓ MOL2 SDF SMILES Flexibase

62869943

Analogs

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Popular Name: (3S)-3-ethyl-1-(1H-pyrazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1H-pyrazole-3-ca…

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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)	0.59	4.97	-48.42	1	6	-1	89	250.278	3	↓ MOL2 SDF SMILES Flexibase

62869944

Analogs

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Popular Name: (3R)-3-ethyl-1-(1H-pyrazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1H-pyrazole-3-ca…

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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)	0.59	5.02	-48.38	1	6	-1	89	250.278	3	↓ MOL2 SDF SMILES Flexibase

62870049

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(2-methylpyrazole…

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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)	0.66	5.89	-49.52	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62870050

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(2-methylpyrazole…

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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)	0.66	5.93	-49.14	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62871853

Analogs

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Popular Name: (3S)-3-propyl-1-(1H-pyrazole-3-carbonyl)piperidine-3-carboxylic (3S)-3-propyl-1-(1H-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)	1.15	5.74	-48.91	1	6	-1	89	264.305	4	↓ MOL2 SDF SMILES Flexibase

62871854

Analogs

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Popular Name: (3R)-3-propyl-1-(1H-pyrazole-3-carbonyl)piperidine-3-carboxylic (3R)-3-propyl-1-(1H-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)	1.15	5.77	-48.77	1	6	-1	89	264.305	4	↓ MOL2 SDF SMILES Flexibase

62872238

Analogs

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Popular Name: (3S)-1-(2-methylpyrazole-3-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2-methylpyrazole-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)	1.22	6.66	-49.84	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

62872239

Analogs

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Popular Name: (3R)-1-(2-methylpyrazole-3-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(2-methylpyrazole-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)	1.22	6.68	-49.5	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

66842880

Analogs

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Popular Name: N-[1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-4-piperidyl]-N-methyl-ethanesulfonamide N-[1-(2-ethyl-5-methyl-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)	0.83	4.22	-14.98	0	7	0	76	342.465	5	↓ MOL2 SDF SMILES Flexibase

66855112

Analogs

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Popular Name: N-ethyl-N-[1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-4-piperidyl]methanesulfonamide N-ethyl-N-[1-(2-ethyl-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)	0.83	4	-15.07	0	7	0	76	342.465	5	↓ MOL2 SDF SMILES Flexibase

55060774

Analogs

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Popular Name: 1-(3-propyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxylic 1-(3-propyl-1H-pyrazole-5-carbon…

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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)	1.31	5.95	-48.12	1	6	-1	89	264.305	4	↓ MOL2 SDF SMILES Flexibase

69718867

Analogs

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Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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)	-0.20	1.83	-49.39	3	5	1	66	223.3	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.20	1.96	-8.34	2	5	0	64	222.292	1	↓ MOL2 SDF SMILES Flexibase

69718868

Analogs

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Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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)	-0.20	2.05	-49.64	3	5	1	66	223.3	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.20	1.75	-8.21	2	5	0	64	222.292	1	↓ MOL2 SDF SMILES Flexibase

69718871

Analogs

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Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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)	-0.20	2.05	-49.61	3	5	1	66	223.3	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.20	1.79	-8.73	2	5	0	64	222.292	1	↓ MOL2 SDF SMILES Flexibase

69718873

Analogs

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Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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)	-0.20	1.83	-49.36	3	5	1	66	223.3	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.20	2.18	-7.48	2	5	0	64	222.292	1	↓ MOL2 SDF SMILES Flexibase

65550112

Analogs

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Popular Name: N-[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]methanesulfonamide N-[1-(2,5-dimethylpyrazole-3-car…

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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)	-0.16	0.69	-17.39	1	7	0	84	300.384	3	↓ MOL2 SDF SMILES Flexibase

40770611

Analogs

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Popular Name: (2-ethyl-5-methyl-pyrazol-3-yl)-(4-methyl-1-piperidyl)methanone (2-ethyl-5-methyl-pyrazol-3-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	6.25	-8.15	0	4	0	38	235.331	2	↓ MOL2 SDF SMILES Flexibase

40770614

Analogs

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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)	1.67	7.18	-12.14	0	6	0	64	293.367	5	↓ MOL2 SDF SMILES Flexibase

40770616

Analogs

39638151
39638152
39638153
39638154
39675056

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Popular Name: 1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)piperidine-4-carboxamide 1-(2-ethyl-5-methyl-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)	0.17	2.3	-15.29	2	6	0	81	264.329	3	↓ MOL2 SDF SMILES Flexibase

40770970

Analogs

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Popular Name: (4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)-(1-piperidyl)methanone (4-chloro-2-ethyl-5-methyl-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)	2.17	6.22	-8.24	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

40770972

Analogs

2781687

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Popular Name: (4-chloro-2-ethyl-5-methyl-pyrazol-3-yl)-(4-methyl-1-piperidyl)methanone (4-chloro-2-ethyl-5-methyl-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)	2.42	6.89	-8.58	0	4	0	38	269.776	2	↓ MOL2 SDF SMILES Flexibase

40770976

Analogs

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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)	2.28	7.83	-13.04	0	6	0	64	327.812	5	↓ MOL2 SDF SMILES Flexibase

40770978

Analogs

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Popular Name: 1-(4-chloro-2-ethyl-5-methyl-pyrazole-3-carbonyl)piperidine-4-carboxamide 1-(4-chloro-2-ethyl-5-methyl-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)	0.77	2.94	-16.47	2	6	0	81	298.774	3	↓ MOL2 SDF SMILES Flexibase

70187874

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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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)	0.09	2.81	-53.22	3	5	1	66	237.327	3	↓ MOL2 SDF SMILES Flexibase

70189416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [4-[2-(methylamino)ethyl]-1-pipe…

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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)	1.07	4.66	-48.1	2	5	1	55	251.354	4	↓ MOL2 SDF SMILES Flexibase

70191143

Analogs

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Popular Name: [(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-(2-methylpyrazol-3-yl)methanone [(2S)-2-[2-(methylamino)ethyl]-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)	1.01	4.63	-39.72	2	5	1	55	251.354	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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