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ZINC Item

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60321400

Analogs

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Popular Name: 5-bromo-N-ethyl-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide 5-bromo-N-ethyl-2-fluoro-N-[(1-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	5.41	-11.45	0	5	0	55	376.251	5	↓ MOL2 SDF SMILES Flexibase

60321402

Analogs

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Popular Name: N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide N-ethyl-4-methyl-N-[(1-methylpyr…

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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)	2.67	6.57	-11.71	0	5	0	55	361.389	6	↓ MOL2 SDF SMILES Flexibase

14226300

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide N-[(1-ethyl-3-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)	1.62	5.89	-13.11	0	5	0	55	293.392	5	↓ MOL2 SDF SMILES Flexibase

14226303

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N,4-dimethyl-benzenesulfonamide N-[(1-ethyl-3-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)	2.07	6.57	-12.97	0	5	0	55	307.419	5	↓ MOL2 SDF SMILES Flexibase

14226306

Analogs

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Popular Name: 4-chloro-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-chloro-N-[(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)	2.30	5.86	-12.36	0	5	0	55	327.837	5	↓ MOL2 SDF SMILES Flexibase

14226309

Analogs

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Popular Name: 4-bromo-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-bromo-N-[(1-ethyl-3-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)	2.43	5.96	-12.35	0	5	0	55	372.288	5	↓ MOL2 SDF SMILES Flexibase

14226312

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide N-[(1-ethyl-3-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)	1.58	6.56	-14.81	0	8	0	101	338.389	6	↓ MOL2 SDF SMILES Flexibase

14226315

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-methoxy-N-methyl-benzenesulfonamide N-[(1-ethyl-3-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)	1.68	5.19	-13.52	0	6	0	64	323.418	6	↓ MOL2 SDF SMILES Flexibase

14226318

Analogs

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Popular Name: 4-ethoxy-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-ethoxy-N-[(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)	2.06	6.12	-13.3	0	6	0	64	337.445	7	↓ MOL2 SDF SMILES Flexibase

14226325

Analogs

36615284
36615285

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-isopropyl-N-methyl-benzenesulfonamide N-[(1-ethyl-3-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)	3.14	7.82	-12.48	0	5	0	55	335.473	6	↓ MOL2 SDF SMILES Flexibase

14226333

Analogs

36615284
36615285

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-4-isobutyl-N-methyl-benzenesulfonamide N-[(1-ethyl-3-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)	2.93	8.58	-12.54	0	5	0	55	349.5	7	↓ MOL2 SDF SMILES Flexibase

14226336

Analogs

14226339
36615284
36615285

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-4-sec-butyl-benzenesulfonamide N-[(1-ethyl-3-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)	3.48	8.48	-12.38	0	5	0	55	349.5	7	↓ MOL2 SDF SMILES Flexibase

14226339

Analogs

36615284
36615285
36615340
36615341
14226336

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-4-sec-butyl-benzenesulfonamide N-[(1-ethyl-3-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)	3.48	8.48	-12.35	0	5	0	55	349.5	7	↓ MOL2 SDF SMILES Flexibase

14226342

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N,3,4-trimethyl-benzenesulfonamide N-[(1-ethyl-3-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)	2.45	6.97	-11.54	0	5	0	55	321.446	5	↓ MOL2 SDF SMILES Flexibase

14226345

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N,2,5-trimethyl-benzenesulfonamide N-[(1-ethyl-3-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)	2.45	6.79	-11.65	0	5	0	55	321.446	5	↓ MOL2 SDF SMILES Flexibase

14226377

Analogs

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Popular Name: N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide N-[(1-ethyl-3-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)	1.56	6.44	-12.88	0	8	0	101	338.389	6	↓ MOL2 SDF SMILES Flexibase

14226743

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide N-[(1-ethyl-5-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)	1.62	5.28	-15.31	0	5	0	55	293.392	5	↓ MOL2 SDF SMILES Flexibase

14226748

Analogs

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Popular Name: 4-chloro-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-chloro-N-[(1-ethyl-5-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)	2.30	5.8	-14.16	0	5	0	55	327.837	5	↓ MOL2 SDF SMILES Flexibase

14226751

Analogs

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Popular Name: 4-bromo-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-bromo-N-[(1-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)	2.43	5.91	-14.1	0	5	0	55	372.288	5	↓ MOL2 SDF SMILES Flexibase

14226757

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide N-[(1-ethyl-5-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)	1.58	6.44	-16	0	8	0	101	338.389	6	↓ MOL2 SDF SMILES Flexibase

14226768

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-isopropyl-N-methyl-benzenesulfonamide N-[(1-ethyl-5-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)	3.14	7.21	-14.65	0	5	0	55	335.473	6	↓ MOL2 SDF SMILES Flexibase

14226777

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-isobutyl-N-methyl-benzenesulfonamide N-[(1-ethyl-5-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)	2.93	8.45	-14.41	0	5	0	55	349.5	7	↓ MOL2 SDF SMILES Flexibase

14226780

Analogs

14226783

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-4-sec-butyl-benzenesulfonamide N-[(1-ethyl-5-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)	3.48	7.87	-14.61	0	5	0	55	349.5	7	↓ MOL2 SDF SMILES Flexibase

14226783

Analogs

14226780

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-4-sec-butyl-benzenesulfonamide N-[(1-ethyl-5-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)	3.48	7.87	-14.55	0	5	0	55	349.5	7	↓ MOL2 SDF SMILES Flexibase

14226786

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N,3,4-trimethyl-benzenesulfonamide N-[(1-ethyl-5-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)	2.45	6.49	-15.35	0	5	0	55	321.446	5	↓ MOL2 SDF SMILES Flexibase

14226789

Analogs

36615325

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N,2,5-trimethyl-benzenesulfonamide N-[(1-ethyl-5-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)	2.45	6.68	-13.81	0	5	0	55	321.446	5	↓ MOL2 SDF SMILES Flexibase

14226816

Analogs

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Popular Name: N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-benzenesulfonamide N-[(1-ethyl-5-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)	1.56	5.95	-18.64	0	8	0	101	338.389	6	↓ MOL2 SDF SMILES Flexibase

14226874

Analogs

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	1.40	5.07	-14.97	0	5	0	55	279.365	5	↓ MOL2 SDF SMILES Flexibase

14226877

Analogs

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Popular Name: 4-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-chloro-N-[(1-ethylpyrazol-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)	2.08	5.59	-13.79	0	5	0	55	313.81	5	↓ MOL2 SDF SMILES Flexibase

14226880

Analogs

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Popular Name: 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-bromo-N-[(1-ethylpyrazol-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)	2.21	5.7	-13.71	0	5	0	55	358.261	5	↓ MOL2 SDF SMILES Flexibase

14226883

Analogs

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoro-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	1.57	5.14	-14.07	0	5	0	55	297.355	5	↓ MOL2 SDF SMILES Flexibase

14226886

Analogs

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	1.36	5.74	-16.16	0	8	0	101	324.362	6	↓ MOL2 SDF SMILES Flexibase

14226889

Analogs

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	1.46	4.37	-15.31	0	6	0	64	309.391	6	↓ MOL2 SDF SMILES Flexibase

14226898

Analogs

14226903

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-isopropyl-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	2.92	7	-14.32	0	5	0	55	321.446	6	↓ MOL2 SDF SMILES Flexibase

14226903

Analogs

14226898

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-tert-butyl-N-[(1-ethylpyrazol-…

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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)	3.11	7.39	-14.24	0	5	0	55	335.473	6	↓ MOL2 SDF SMILES Flexibase

14226906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-isobutyl-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	2.70	7.76	-14.36	0	5	0	55	335.473	7	↓ MOL2 SDF SMILES Flexibase

14226924

Analogs

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethoxy-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	1.44	4.23	-14.99	0	7	0	74	339.417	7	↓ MOL2 SDF SMILES Flexibase

14226927

Analogs

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Popular Name: N-[(1-ethylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methyl-benzenesulfonamide N-[(1-ethylpyrazol-4-yl)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)	1.05	4.28	-17.27	0	7	0	74	339.417	7	↓ MOL2 SDF SMILES Flexibase

14226930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 2,5-dichloro-N-[(1-ethylpyrazol-…

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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)	2.69	5.93	-10.57	0	5	0	55	348.255	5	↓ MOL2 SDF SMILES Flexibase

14226968

Analogs

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Popular Name: N-[4-[(1-ethylpyrazol-4-yl)methyl-methyl-sulfamoyl]phenyl]acetamide N-[4-[(1-ethylpyrazol-4-yl)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)	0.62	4	-18.64	1	7	0	84	336.417	6	↓ MOL2 SDF SMILES Flexibase

14229623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	1.85	5.94	-13.83	0	5	0	55	307.419	5	↓ MOL2 SDF SMILES Flexibase

14229625

Analogs

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Popular Name: 4-bromo-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-bromo-N-[(1-ethyl-3,5-dimethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	6.57	-12.64	0	5	0	55	386.315	5	↓ MOL2 SDF SMILES Flexibase

14229628

Analogs

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Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-fluoro-N-methyl-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	2.01	6.02	-13.05	0	5	0	55	325.409	5	↓ MOL2 SDF SMILES Flexibase

14229631

Analogs

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Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-4-nitro-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	1.81	6.62	-15.21	0	8	0	101	352.416	6	↓ MOL2 SDF SMILES Flexibase

14229634

Analogs

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Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-methoxy-N-methyl-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	1.90	5.25	-14.34	0	6	0	64	337.445	6	↓ MOL2 SDF SMILES Flexibase

14229637

Analogs

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Popular Name: 4-ethoxy-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-ethoxy-N-[(1-ethyl-3,5-dimethy…

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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	6.18	-14.04	0	6	0	64	351.472	7	↓ MOL2 SDF SMILES Flexibase

14229645

Analogs

14229651
36615340
36615341

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-isopropyl-N-methyl-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	3.36	7.87	-13.19	0	5	0	55	349.5	6	↓ MOL2 SDF SMILES Flexibase

14229651

Analogs

36615340
36615341
14229645

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-benzenesulfonamide 4-tert-butyl-N-[(1-ethyl-3,5-dim…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	8.28	-13.15	0	5	0	55	363.527	6	↓ MOL2 SDF SMILES Flexibase

14229654

Analogs

36615340
36615341

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-isobutyl-N-methyl-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	3.15	8.63	-13.31	0	5	0	55	363.527	7	↓ MOL2 SDF SMILES Flexibase

14229657

Analogs

14229659
36615284
36615285
36615340
36615341

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-4-sec-butyl-benzenesulfonamide N-[(1-ethyl-3,5-dimethyl-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)	3.70	8.54	-13.14	0	5	0	55	363.527	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 191401
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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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', {
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