ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36880759

Analogs

2500153
32836227

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-(4-aminocyclohexyl)-3,5-dimeth…

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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)	-0.45	-0.95	-53.3	5	6	1	102	273.382	3	↓ MOL2 SDF SMILES Flexibase

36880803

Analogs

2500153
32836227

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[4-(methylamino)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)	0.46	0.68	-48.29	4	6	1	91	287.409	4	↓ MOL2 SDF SMILES Flexibase

36880845

Analogs

2500153

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylamino)cyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[4-(ethylamino)cyclohexyl]-3,5…

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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)	0.84	1.78	-47.45	4	6	1	91	301.436	5	↓ MOL2 SDF SMILES Flexibase

36880880

Analogs

2500153

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[4-(propylamino)cyclohexyl]-1H-pyrazole-4-sulfonamide 3,5-dimethyl-N-[4-(propylamino)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)	1.34	2.32	-51.01	4	6	1	91	315.463	6	↓ MOL2 SDF SMILES Flexibase

2803355

Analogs

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Popular Name: N-cyclohexyl-1-methyl-pyrazole-4-sulfonamide N-cyclohexyl-1-methyl-pyrazole-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)	1.29	-4.66	-10.76	1	5	0	63	243.332	3	↓ MOL2 SDF SMILES Flexibase

2803440

Analogs

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Popular Name: N-cyclohexyl-1-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonamide N-cyclohexyl-1-(difluoromethyl)-…

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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)	2.29	-2.96	-8.44	1	5	0	63	307.366	4	↓ MOL2 SDF SMILES Flexibase

2803640

Analogs

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Popular Name: N-cyclohexyl-1,5-dimethyl-pyrazole-4-sulfonamide N-cyclohexyl-1,5-dimethyl-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)	1.51	-4.36	-11.98	1	5	0	63	257.359	3	↓ MOL2 SDF SMILES Flexibase

2803650

Analogs

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Popular Name: N-cyclohexyl-1,3-dimethyl-pyrazole-4-sulfonamide N-cyclohexyl-1,3-dimethyl-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)	1.51	-4.3	-11.02	1	5	0	63	257.359	3	↓ MOL2 SDF SMILES Flexibase

2803759

Analogs

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Popular Name: N-cyclohexyl-1-ethyl-3-methyl-pyrazole-4-sulfonamide N-cyclohexyl-1-ethyl-3-methyl-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)	1.89	-4.38	-10.37	1	5	0	63	271.386	4	↓ MOL2 SDF SMILES Flexibase

69486027

Analogs

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Popular Name: N-allyl-1-[(1-methylpyrazol-4-yl)sulfonylamino]cyclohexanecarboxamide N-allyl-1-[(1-methylpyrazol-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)	1.11	1.83	-15.62	2	7	0	93	326.422	6	↓ MOL2 SDF SMILES Flexibase

65538643

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)	1.66	3.66	-11.86	1	7	0	90	329.422	5	↓ MOL2 SDF SMILES Flexibase

56095066

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)	1.60	3.55	-14.69	1	7	0	90	315.395	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.60	3.92	-43.94	0	7	-1	92	314.387	6	↓ MOL2 SDF SMILES Flexibase

56107725

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)	0.99	3.24	-14.42	1	7	0	90	315.395	5	↓ MOL2 SDF SMILES Flexibase

40347560

Analogs

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Popular Name: 3-amino-N-(4-ethylcyclohexyl)-N,1-dimethyl-pyrazole-4-sulfonamide 3-amino-N-(4-ethylcyclohexyl)-N,…

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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)	1.60	3.81	-11.44	2	6	0	81	300.428	4	↓ MOL2 SDF SMILES Flexibase

40347561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-1-ethyl-N-(4-ethylcyclohexyl)-N-methyl-pyrazole-4-sulfonamide 3-amino-1-ethyl-N-(4-ethylcycloh…

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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)	1.97	4.67	-11.25	2	6	0	81	314.455	5	↓ MOL2 SDF SMILES Flexibase

40348795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-amino-1-methyl-pyrazol-4-yl)sulfonylamino]cyclohexanecarboxamide 4-[(3-amino-1-methyl-pyrazol-4-y…

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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)	-0.98	-2.72	-18.36	5	8	0	133	301.372	4	↓ MOL2 SDF SMILES Flexibase

40348796

Analogs

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Popular Name: 4-[(3-amino-1-ethyl-pyrazol-4-yl)sulfonylamino]cyclohexanecarboxamide 4-[(3-amino-1-ethyl-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)	-0.60	-1.85	-18.07	5	8	0	133	315.399	5	↓ MOL2 SDF SMILES Flexibase

70110655

Analogs

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Popular Name: 3-amino-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1-methyl-pyrazole-4-sulfonamide 3-amino-N-[(1S,2R,4R)-2,4-dimeth…

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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)	1.14	2.25	-11.1	3	6	0	90	286.401	3	↓ MOL2 SDF SMILES Flexibase

70110656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1-methyl-pyrazole-4-sulfonamide 3-amino-N-[(1S,2R,4S)-2,4-dimeth…

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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)	1.14	1.75	-11.29	3	6	0	90	286.401	3	↓ MOL2 SDF SMILES Flexibase

70110657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1-methyl-pyrazole-4-sulfonamide 3-amino-N-[(1R,2R,4R)-2,4-dimeth…

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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)	1.14	2.01	-11.23	3	6	0	90	286.401	3	↓ MOL2 SDF SMILES Flexibase

70110658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1-methyl-pyrazole-4-sulfonamide 3-amino-N-[(1R,2R,4S)-2,4-dimeth…

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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)	1.14	1.8	-11.26	3	6	0	90	286.401	3	↓ MOL2 SDF SMILES Flexibase

70110755

Analogs

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Popular Name: 3-amino-N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-1-propyl-pyrazole-4-sulfonamide 3-amino-N-[(1R,2S,4S)-2,4-dimeth…

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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)	2.02	3.75	-10.11	3	6	0	90	314.455	5	↓ MOL2 SDF SMILES Flexibase

70110756

Analogs

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Popular Name: 3-amino-N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-1-propyl-pyrazole-4-sulfonamide 3-amino-N-[(1S,2S,4S)-2,4-dimeth…

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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)	2.02	3.68	-10.29	3	6	0	90	314.455	5	↓ MOL2 SDF SMILES Flexibase

70110757

Analogs

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Popular Name: 3-amino-N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-1-propyl-pyrazole-4-sulfonamide 3-amino-N-[(1R,2S,4R)-2,4-dimeth…

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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)	2.02	3.27	-10.23	3	6	0	90	314.455	5	↓ MOL2 SDF SMILES Flexibase

70110758

Analogs

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Popular Name: 3-amino-N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-1-propyl-pyrazole-4-sulfonamide 3-amino-N-[(1S,2S,4R)-2,4-dimeth…

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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)	2.02	3.46	-10.31	3	6	0	90	314.455	5	↓ MOL2 SDF SMILES Flexibase

70110795

Analogs

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Popular Name: 3-amino-N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-1-ethyl-pyrazole-4-sulfonamide 3-amino-N-[(1R,2S,4S)-2,4-dimeth…

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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)	1.52	2.99	-10.5	3	6	0	90	300.428	4	↓ MOL2 SDF SMILES Flexibase

70110796

Analogs

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Popular Name: 3-amino-N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-1-ethyl-pyrazole-4-sulfonamide 3-amino-N-[(1S,2S,4S)-2,4-dimeth…

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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)	1.52	2.92	-10.71	3	6	0	90	300.428	4	↓ MOL2 SDF SMILES Flexibase

70110797

Analogs

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Popular Name: 3-amino-N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-1-ethyl-pyrazole-4-sulfonamide 3-amino-N-[(1R,2S,4R)-2,4-dimeth…

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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)	1.52	2.52	-10.62	3	6	0	90	300.428	4	↓ MOL2 SDF SMILES Flexibase

70110798

Analogs

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Popular Name: 3-amino-N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-1-ethyl-pyrazole-4-sulfonamide 3-amino-N-[(1S,2S,4R)-2,4-dimeth…

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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)	1.52	2.7	-10.74	3	6	0	90	300.428	4	↓ MOL2 SDF SMILES Flexibase

70110984

Analogs

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Popular Name: 3-amino-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1H-pyrazole-4-sulfonamide 3-amino-N-[(1S,2R,4S)-2,4-dimeth…

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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	0.44	-10.63	4	6	0	101	272.374	3	↓ MOL2 SDF SMILES Flexibase

70112699

Analogs

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Popular Name: 2-[4-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]pyrazol-1-yl]acetic 2-[4-[[(1S,2R,4R)-2,4-dimethylcy…

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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)	0.78	4.28	-50.31	1	7	-1	104	314.387	5	↓ MOL2 SDF SMILES Flexibase

70112700

Analogs

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Popular Name: 2-[4-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]pyrazol-1-yl]acetic 2-[4-[[(1S,2R,4S)-2,4-dimethylcy…

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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)	0.78	3.81	-50.69	1	7	-1	104	314.387	5	↓ MOL2 SDF SMILES Flexibase

70112701

Analogs

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Popular Name: 2-[4-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]pyrazol-1-yl]acetic 2-[4-[[(1R,2R,4R)-2,4-dimethylcy…

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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)	0.78	3.92	-50.59	1	7	-1	104	314.387	5	↓ MOL2 SDF SMILES Flexibase

70112702

Analogs

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Popular Name: 2-[4-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]pyrazol-1-yl]acetic 2-[4-[[(1R,2R,4S)-2,4-dimethylcy…

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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)	0.78	3.69	-50.64	1	7	-1	104	314.387	5	↓ MOL2 SDF SMILES Flexibase

70116539

Analogs

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Popular Name: N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide N-[(1R,2S,4S)-2,4-dimethylcycloh…

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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	2.65	-10.23	2	5	0	75	271.386	3	↓ MOL2 SDF SMILES Flexibase

70116540

Analogs

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Popular Name: N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide N-[(1S,2S,4S)-2,4-dimethylcycloh…

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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	2.3	-10.45	2	5	0	75	271.386	3	↓ MOL2 SDF SMILES Flexibase

70116541

Analogs

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Popular Name: N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide N-[(1R,2S,4R)-2,4-dimethylcycloh…

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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	2.16	-10.75	2	5	0	75	271.386	3	↓ MOL2 SDF SMILES Flexibase

70116542

Analogs

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Popular Name: N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide N-[(1S,2S,4R)-2,4-dimethylcycloh…

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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	2.07	-10.47	2	5	0	75	271.386	3	↓ MOL2 SDF SMILES Flexibase

70116543

Analogs

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Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1H-pyrazole-4-sulfonamide N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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)	1.47	1.97	-10.4	2	5	0	75	257.359	3	↓ MOL2 SDF SMILES Flexibase

70116544

Analogs

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Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1H-pyrazole-4-sulfonamide N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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)	1.47	1.5	-10.31	2	5	0	75	257.359	3	↓ MOL2 SDF SMILES Flexibase

70116545

Analogs

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Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1H-pyrazole-4-sulfonamide N-[(1R,2R,4R)-2,4-dimethylcycloh…

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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)	1.47	1.62	-10.09	2	5	0	75	257.359	3	↓ MOL2 SDF SMILES Flexibase

70116546

Analogs

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Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1H-pyrazole-4-sulfonamide N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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)	1.47	1.4	-10.09	2	5	0	75	257.359	3	↓ MOL2 SDF SMILES Flexibase

70116547

Analogs

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Popular Name: N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(1R,2S,4S)-2,4-dimethylcycloh…

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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)	1.91	3.28	-8.64	2	5	0	75	285.413	3	↓ MOL2 SDF SMILES Flexibase

70116548

Analogs

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Popular Name: N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(1S,2S,4S)-2,4-dimethylcycloh…

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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)	1.91	3.11	-8.88	2	5	0	75	285.413	3	↓ MOL2 SDF SMILES Flexibase

70116549

Analogs

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Popular Name: N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(1R,2S,4R)-2,4-dimethylcycloh…

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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)	1.91	2.8	-8.78	2	5	0	75	285.413	3	↓ MOL2 SDF SMILES Flexibase

70116550

Analogs

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Popular Name: N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-[(1S,2S,4R)-2,4-dimethylcycloh…

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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)	1.91	2.89	-8.96	2	5	0	75	285.413	3	↓ MOL2 SDF SMILES Flexibase

48959804

Analogs

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Popular Name: 1-methyl-N-(4-propylcyclohexyl)pyrazole-4-sulfonamide 1-methyl-N-(4-propylcyclohexyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.31	3.65	-10.63	1	5	0	64	285.413	5	↓ MOL2 SDF SMILES Flexibase

37116104

Analogs

2500153

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Popular Name: N-(4-hydroxycyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-(4-hydroxycyclohexyl)-3,5-dime…

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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)	0.05	-1.4	-11.04	3	6	0	95	273.358	3	↓ MOL2 SDF SMILES Flexibase

49239725

Analogs

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Popular Name: N-cyclohexyl-N-isobutyl-1H-pyrazole-4-sulfonamide N-cyclohexyl-N-isobutyl-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)	2.59	4.26	-10.03	1	5	0	66	285.413	5	↓ MOL2 SDF SMILES Flexibase

49239883

Analogs

21811553

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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)	0.93	1.88	-9.25	2	7	0	101	301.368	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 109938 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>
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