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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

40333225

Analogs

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Popular Name: methyl 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)	-0.01	2.09	-13.33	2	8	0	108	302.356	4	↓ MOL2 SDF SMILES Flexibase

40333226

Analogs

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Popular Name: methyl 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)	-0.01	2.43	-16.17	2	8	0	108	302.356	4	↓ MOL2 SDF SMILES Flexibase

40333227

Analogs

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Popular Name: methyl 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)	0.37	2.97	-13.09	2	8	0	108	316.383	5	↓ MOL2 SDF SMILES Flexibase

40333228

Analogs

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Popular Name: methyl 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)	0.37	3.3	-15.99	2	8	0	108	316.383	5	↓ MOL2 SDF SMILES Flexibase

40333452

Analogs

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Popular Name: (2R)-1-(3-amino-1-ethyl-pyrazol-4-yl)sulfonylpiperidine-2-carboxamide (2R)-1-(3-amino-1-ethyl-pyrazol-…

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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	-0.65	-14.72	4	8	0	124	301.372	4	↓ MOL2 SDF SMILES Flexibase

40333453

Analogs

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Popular Name: (2S)-1-(3-amino-1-ethyl-pyrazol-4-yl)sulfonylpiperidine-2-carboxamide (2S)-1-(3-amino-1-ethyl-pyrazol-…

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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	-0.02	-18.16	4	8	0	124	301.372	4	↓ MOL2 SDF SMILES Flexibase

40333673

Analogs

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Popular Name: 1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-N-ethyl-piperidine-4-carboxamide 1-(3-amino-1-methyl-pyrazol-4-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)	-0.51	0.21	-19.11	3	8	0	110	315.399	4	↓ MOL2 SDF SMILES Flexibase

40334020

Analogs

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Popular Name: (3S)-1-[(3-amino-1H-pyrazol-4-yl)sulfonyl]-3-[(sulfamoylamino)methyl]piperidine (3S)-1-[(3-amino-1H-pyrazol-4-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)	-1.51	-5.92	-20.04	6	10	0	164	338.415	5	↓ MOL2 SDF SMILES Flexibase

40334097

Analogs

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Popular Name: [(3R)-1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-3-piperidyl]methylurea [(3R)-1-(3-amino-1-methyl-pyrazo…

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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)	-0.93	-2.54	-18.09	5	9	0	136	316.387	4	↓ MOL2 SDF SMILES Flexibase

40334098

Analogs

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Popular Name: [(3S)-1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-3-piperidyl]methylurea [(3S)-1-(3-amino-1-methyl-pyrazo…

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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)	-0.93	-2.55	-18.57	5	9	0	136	316.387	4	↓ MOL2 SDF SMILES Flexibase

40334250

Analogs

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Popular Name: 2-[1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-4-piperidyl]acetamide 2-[1-(3-amino-1-methyl-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.81	-1.42	-16.81	4	8	0	124	301.372	4	↓ MOL2 SDF SMILES Flexibase

40334251

Analogs

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Popular Name: 2-[1-(3-amino-1-ethyl-pyrazol-4-yl)sulfonyl-4-piperidyl]acetamide 2-[1-(3-amino-1-ethyl-pyrazol-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.43	-0.56	-16.6	4	8	0	124	315.399	5	↓ MOL2 SDF SMILES Flexibase

40334469

Analogs

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Popular Name: (3S,6R)-1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-6-methyl-piperidine-3-carboxamide (3S,6R)-1-(3-amino-1-methyl-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)	-0.93	-1.55	-16.66	4	8	0	124	301.372	3	↓ MOL2 SDF SMILES Flexibase

40334470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(3-amino-1-methyl-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)	-0.93	-1.71	-16.44	4	8	0	124	301.372	3	↓ MOL2 SDF SMILES Flexibase

40334471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-6-methyl-piperidine-3-carboxamide (3R,6R)-1-(3-amino-1-methyl-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)	-0.93	-1.61	-16.42	4	8	0	124	301.372	3	↓ MOL2 SDF SMILES Flexibase

40334472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(3-amino-1-methyl-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)	-0.93	0.05	-19.8	4	8	0	124	301.372	3	↓ MOL2 SDF SMILES Flexibase

40334473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-1-(3-amino-1-ethyl-pyrazol-4-yl)sulfonyl-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(3-amino-1-ethyl-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)	-0.56	0.84	-20.04	4	8	0	124	315.399	4	↓ MOL2 SDF SMILES Flexibase

40334474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-(3-amino-1-ethyl-pyrazol-4-yl)sulfonyl-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(3-amino-1-ethyl-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)	-0.56	-0.78	-16.27	4	8	0	124	315.399	4	↓ MOL2 SDF SMILES Flexibase

40334786

Analogs

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Popular Name: 4-[(4-ethyl-1-piperidyl)sulfonyl]-1-methyl-pyrazol-3-amine 4-[(4-ethyl-1-piperidyl)sulfonyl…

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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	2.47	-11.57	2	6	0	81	272.374	3	↓ MOL2 SDF SMILES Flexibase

40334787

Analogs

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Popular Name: 1-ethyl-4-[(4-ethyl-1-piperidyl)sulfonyl]pyrazol-3-amine 1-ethyl-4-[(4-ethyl-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)	1.45	3.32	-11.4	2	6	0	81	286.401	4	↓ MOL2 SDF SMILES Flexibase

40334788

Analogs

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Popular Name: 4-[(4-ethyl-1-piperidyl)sulfonyl]-1-propyl-pyrazol-3-amine 4-[(4-ethyl-1-piperidyl)sulfonyl…

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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)	1.95	4.09	-10.99	2	6	0	81	300.428	5	↓ MOL2 SDF SMILES Flexibase

50907023

Analogs

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Popular Name: 4-propyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine 4-propyl-1-(1H-pyrazol-4-ylsulfo…

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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)	1.95	2.9	-10.55	1	5	0	66	257.359	4	↓ MOL2 SDF SMILES Flexibase

50907024

Analogs

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Popular Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propyl-piperidine 1-[(3,5-dimethyl-1H-pyrazol-4-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)	2.40	4.29	-9.63	1	5	0	66	285.413	4	↓ MOL2 SDF SMILES Flexibase

50907028

Analogs

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Popular Name: 1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-4-propyl-piperidine 1-[(5-methyl-1H-pyrazol-4-yl)sul…

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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	3.16	-10.34	1	5	0	66	271.386	4	↓ MOL2 SDF SMILES Flexibase

40337263

Analogs

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Popular Name: 4-[[4-(dimethylaminomethyl)-1-piperidyl]sulfonyl]-1-methyl-pyrazol-3-amine 4-[[4-(dimethylaminomethyl)-1-pi…

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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)	0.04	3.15	-47.73	3	7	1	86	302.424	4	↓ MOL2 SDF SMILES Flexibase

40337267

Analogs

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Popular Name: 4-[[4-(dimethylaminomethyl)-1-piperidyl]sulfonyl]-1-ethyl-pyrazol-3-amine 4-[[4-(dimethylaminomethyl)-1-pi…

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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)	0.41	4.03	-47.8	3	7	1	86	316.451	5	↓ MOL2 SDF SMILES Flexibase

35623905

Analogs

37840271
37840775
37840777

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol (3S)-1-[(3,5-dimethyl-1H-pyrazol…

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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)	-0.24	-1.04	-10.91	2	6	0	86	259.331	2	↓ MOL2 SDF SMILES Flexibase

35623907

Analogs

37840271
37840775
37840777

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol (3R)-1-[(3,5-dimethyl-1H-pyrazol…

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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)	-0.24	-1	-11.08	2	6	0	86	259.331	2	↓ MOL2 SDF SMILES Flexibase

51750580

Analogs

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Popular Name: (2R,4R)-2,4-dimethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (2R,4R)-2,4-dimethyl-1-(1H-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)	1.04	2.03	-9.79	1	5	0	66	243.332	2	↓ MOL2 SDF SMILES Flexibase

51750583

Analogs

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Popular Name: (2R,4S)-2,4-dimethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine (2R,4S)-2,4-dimethyl-1-(1H-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)	1.04	1.98	-9.95	1	5	0	66	243.332	2	↓ MOL2 SDF SMILES Flexibase

51750586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,4-dimethyl-piperidine (2S,4S)-1-[(3,5-dimethyl-1H-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)	1.48	3.39	-9.84	1	5	0	66	271.386	2	↓ MOL2 SDF SMILES Flexibase

51750589

Analogs

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Popular Name: (2S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,4-dimethyl-piperidine (2S,4R)-1-[(3,5-dimethyl-1H-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)	1.48	3.43	-9.18	1	5	0	66	271.386	2	↓ MOL2 SDF SMILES Flexibase

51750597

Analogs

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Popular Name: (2S,4S)-2,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine (2S,4S)-2,4-dimethyl-1-[(5-methy…

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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)	1.26	2.17	-9.54	1	5	0	66	257.359	2	↓ MOL2 SDF SMILES Flexibase

51750599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine (2S,4R)-2,4-dimethyl-1-[(5-methy…

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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)	1.26	2.34	-10.28	1	5	0	66	257.359	2	↓ MOL2 SDF SMILES Flexibase

40338720

Analogs

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Popular Name: 1-(3-amino-1-methyl-pyrazol-4-yl)sulfonyl-N,N-diethyl-piperidin-4-amine 1-(3-amino-1-methyl-pyrazol-4-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)	0.41	3.24	-44.73	3	7	1	86	316.451	5	↓ MOL2 SDF SMILES Flexibase

36133371

Analogs

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Popular Name: 3-[4-[[(2R)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrazol-1-yl]propanoic 3-[4-[[(2R)-2-(hydroxymethyl)-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)	-0.59	2.32	-46.45	1	8	-1	116	316.359	6	↓ MOL2 SDF SMILES Flexibase

36133373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrazol-1-yl]propanoic 3-[4-[[(2S)-2-(hydroxymethyl)-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)	-0.59	2.32	-46.76	1	8	-1	116	316.359	6	↓ MOL2 SDF SMILES Flexibase

36133375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2R)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrazol-1-yl]acetic 2-[4-[[(2R)-2-(hydroxymethyl)-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)	-0.86	1.77	-49.4	1	8	-1	116	302.332	5	↓ MOL2 SDF SMILES Flexibase

36133376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrazol-1-yl]acetic 2-[4-[[(2S)-2-(hydroxymethyl)-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)	-0.86	1.77	-49.16	1	8	-1	116	302.332	5	↓ MOL2 SDF SMILES Flexibase

53667921

Analogs

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Popular Name: (3R,6S)-6-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3R,6S)-6-methyl-1-(1,3,5-trimet…

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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	1.3	-20.97	2	7	0	98	314.411	3	↓ MOL2 SDF SMILES Flexibase

53667922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-6-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3S,6S)-6-methyl-1-(1,3,5-trimet…

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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	0.62	-16.07	2	7	0	98	314.411	3	↓ MOL2 SDF SMILES Flexibase

53672771

Analogs

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Popular Name: (3R,6S)-N-butyl-6-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3R,6S)-N-butyl-6-methyl-1-(1,3,…

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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)	1.72	5.1	-21.8	1	7	0	84	370.519	6	↓ MOL2 SDF SMILES Flexibase

53672772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-butyl-6-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3S,6S)-N-butyl-6-methyl-1-(1,3,…

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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)	1.72	4.29	-14.4	1	7	0	84	370.519	6	↓ MOL2 SDF SMILES Flexibase

53672773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-butyl-6-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3R,6R)-N-butyl-6-methyl-1-(1,3,…

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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)	1.72	4.06	-15.94	1	7	0	84	370.519	6	↓ MOL2 SDF SMILES Flexibase

53672774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-butyl-6-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3S,6R)-N-butyl-6-methyl-1-(1,3,…

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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)	1.72	4.55	-14.39	1	7	0	84	370.519	6	↓ MOL2 SDF SMILES Flexibase

36967747

Analogs

44618486
44618489

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylic (2R)-1-(1,3,5-trimethylpyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.24	4.84	-52.06	0	7	-1	95	300.36	3	↓ MOL2 SDF SMILES Flexibase

36967749

Analogs

44618486
44618489

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylic (2S)-1-(1,3,5-trimethylpyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.24	4.83	-58.74	0	7	-1	95	300.36	3	↓ MOL2 SDF SMILES Flexibase

57927021

Analogs

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Popular Name: (3R)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-N-ethyl-piperidine-3-carboxamide (3R)-1-(5-chloro-1,3-dimethyl-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)	0.91	2.34	-14.22	1	7	0	84	348.856	4	↓ MOL2 SDF SMILES Flexibase

57927025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-N-ethyl-piperidine-3-carboxamide (3S)-1-(5-chloro-1,3-dimethyl-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)	0.91	2.37	-13.69	1	7	0	84	348.856	4	↓ MOL2 SDF SMILES Flexibase

57927233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1-(1-methylpyrazol-4-yl)sulfonyl-piperidine-3-carboxamide (3R)-N-ethyl-1-(1-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)	-0.12	1.16	-15.97	1	7	0	84	300.384	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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