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ZINC Item

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19999957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(4-methoxyphenyl)-N-[2-(4-meth…

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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

19999961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(3-methoxyphenyl)-4-methyl-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

19999969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(4-chlorophenyl)-4-methoxy-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)	2.93	5.42	-17.22	0	7	0	70	437.949	6	↓ MOL2 SDF SMILES Flexibase

19999973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(3-chlorophenyl)-4-methoxy-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)	2.90	5.59	-14.69	0	7	0	70	437.949	6	↓ MOL2 SDF SMILES Flexibase

20235490

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)	3.87	9.2	-18.84	0	8	0	87	524.437	7	↓ MOL2 SDF SMILES Flexibase

20236029

Analogs

15823019

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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)	4.37	9.69	-16.53	0	8	0	87	514.431	7	↓ MOL2 SDF SMILES Flexibase

20239304

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.74	7.7	-20.19	0	10	0	106	505.593	9	↓ MOL2 SDF SMILES Flexibase

20239373

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)	3.03	8.02	-20.59	0	12	0	142	520.564	9	↓ MOL2 SDF SMILES Flexibase

20239442

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)	3.11	8.35	-24.87	0	10	0	106	519.62	9	↓ MOL2 SDF SMILES Flexibase

20239471

Analogs

Draw Identity 99% 90% 80% 70%

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)	3.51	9.15	-18.55	0	9	0	96	521.661	10	↓ MOL2 SDF SMILES Flexibase

20239813

Analogs

Draw Identity 99% 90% 80% 70%

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)	3.93	8.86	-16.32	0	8	0	87	500.404	7	↓ MOL2 SDF SMILES Flexibase

20362836

Analogs

19913721

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(3,4-dimethylphenyl)-N-[2-(4-e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	8.46	-13.13	0	6	0	61	429.586	6	↓ MOL2 SDF SMILES Flexibase

13669008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide 4-fluoro-N-[2-(4-formylpiperazin…

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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)	1.74	6.8	-27.2	0	7	0	78	405.451	5	↓ MOL2 SDF SMILES Flexibase

13669059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(4-ethoxyphenyl)-N-[2-(4-formy…

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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)	2.46	7.39	-21.02	0	8	0	87	445.541	7	↓ MOL2 SDF SMILES Flexibase

13669344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(2-fluorophenyl)-N-[2-(4-formy…

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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)	2.14	7.46	-26.15	0	7	0	78	419.478	5	↓ MOL2 SDF SMILES Flexibase

13669648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(p-tolyl)benzenesulfonamide 4-chloro-N-[2-(4-formylpiperazin…

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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	7.67	-19.3	0	7	0	78	435.933	5	↓ MOL2 SDF SMILES Flexibase

13669675

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-benzenesulfonamide N-(2,5-dimethoxyphenyl)-N-[2-(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)	1.26	4.56	-26.26	0	11	0	115	507.565	9	↓ MOL2 SDF SMILES Flexibase

13669726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesu N-[4-chloro-3-(trifluoromethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	8.41	-21.08	0	7	0	78	503.93	6	↓ MOL2 SDF SMILES Flexibase

13669812

Analogs

19840788
19913235

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(5-chloro-2-methoxy-phenyl)-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)	2.24	6.59	-18.34	0	8	0	87	451.932	6	↓ MOL2 SDF SMILES Flexibase

13669865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(4-nitrophenyl)benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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)	1.53	7.14	-23.53	0	10	0	124	432.458	6	↓ MOL2 SDF SMILES Flexibase

13669867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(2,3-dimethylphenyl)-N-[2-(4-f…

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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)	2.82	8.51	-22.3	0	7	0	78	429.542	5	↓ MOL2 SDF SMILES Flexibase

13669871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(3-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide 4-chloro-N-(3-chlorophenyl)-N-[2…

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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)	2.91	7.52	-17.74	0	7	0	78	456.351	5	↓ MOL2 SDF SMILES Flexibase

13669968

Analogs

15823176

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-[4-chloro-3-(trifluoromethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.88	-17.28	0	7	0	78	489.903	6	↓ MOL2 SDF SMILES Flexibase

13670250

Analogs

10111530

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(4-fluorophenyl)-N-[2-(4-formy…

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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)	1.74	6.39	-26.04	0	7	0	78	405.451	5	↓ MOL2 SDF SMILES Flexibase

13670277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methoxy-N-phenyl-benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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)	1.63	5.62	-26.2	0	8	0	87	417.487	6	↓ MOL2 SDF SMILES Flexibase

13670299

Analogs

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Popular Name: N-(4-ethoxyphenyl)-4-fluoro-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(4-ethoxyphenyl)-4-fluoro-N-[2…

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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	6.76	-20.3	0	8	0	87	449.504	7	↓ MOL2 SDF SMILES Flexibase

13670505

Analogs

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Popular Name: 4-chloro-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(m-tolyl)benzenesulfonamide 4-chloro-N-[2-(4-formylpiperazin…

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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)	2.68	7.92	-22.1	0	7	0	78	435.933	5	↓ MOL2 SDF SMILES Flexibase

13670536

Analogs

19899319
19913289

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-benzenesulfonamide N-(3,5-dimethylphenyl)-N-[2-(4-f…

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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)	2.05	6.93	-28.59	0	9	0	96	475.567	7	↓ MOL2 SDF SMILES Flexibase

13670802

Analogs

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Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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)	2.89	8.41	-26.69	0	7	0	78	469.485	6	↓ MOL2 SDF SMILES Flexibase

13670811

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(3-chloro-2-methyl-phenyl)-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)	3.05	8.37	-20.23	0	7	0	78	449.96	5	↓ MOL2 SDF SMILES Flexibase

13670949

Analogs

19877665

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-[2-chloro-5-(trifluoromethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	8.37	-16.87	0	7	0	78	489.903	6	↓ MOL2 SDF SMILES Flexibase

13671004

Analogs

14411863

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(4-chlorophenyl)-N-[2-(4-formy…

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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	7.51	-25.35	0	7	0	78	435.933	5	↓ MOL2 SDF SMILES Flexibase

13671265

Analogs

19905435

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(3,5-dimethylphenyl)-N-[2-(4-f…

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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	7.79	-20.42	0	7	0	78	415.515	5	↓ MOL2 SDF SMILES Flexibase

13671793

Analogs

19905117

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-N-(p-tolyl)benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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)	2.47	7.85	-20.5	0	7	0	78	415.515	5	↓ MOL2 SDF SMILES Flexibase

13671889

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(2,4-dimethoxyphenyl)-N-[2-(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)	2.06	6.08	-21.99	0	9	0	96	461.54	7	↓ MOL2 SDF SMILES Flexibase

13672184

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(3-chloro-4-methyl-phenyl)-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)	3.08	8.26	-17.19	0	7	0	78	449.96	5	↓ MOL2 SDF SMILES Flexibase

13672450

Analogs

19850585

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Popular Name: N-(2-ethoxyphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(2-ethoxyphenyl)-N-[2-(4-formy…

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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)	1.96	6.78	-22.12	0	8	0	87	431.514	7	↓ MOL2 SDF SMILES Flexibase

13672807

Analogs

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Popular Name: N-(4-bromophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methyl-benzenesulfonamide N-(4-bromophenyl)-N-[2-(4-formyl…

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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)	2.83	7.62	-25.28	0	7	0	78	480.384	5	↓ MOL2 SDF SMILES Flexibase

13673017

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(3-chloro-2-methyl-phenyl)-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)	2.61	7.69	-20.62	0	7	0	78	435.933	5	↓ MOL2 SDF SMILES Flexibase

13673109

Analogs

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Popular Name: N-(3-chlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methoxy-benzenesulfonamide N-(3-chlorophenyl)-N-[2-(4-formy…

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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	6.3	-19.2	0	8	0	87	451.932	6	↓ MOL2 SDF SMILES Flexibase

13673541

Analogs

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Popular Name: 4-chloro-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(o-tolyl)benzenesulfonamide 4-chloro-N-[2-(4-formylpiperazin…

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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)	2.65	8.18	-15.23	0	7	0	78	435.933	5	↓ MOL2 SDF SMILES Flexibase

13674125

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(3-chloro-4-methoxy-phenyl)-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)	2.24	6.31	-18.62	0	8	0	87	451.932	6	↓ MOL2 SDF SMILES Flexibase

13674581

Analogs

19928841

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Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(4-iodophenyl)benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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	7.42	-25.37	0	7	0	78	513.357	5	↓ MOL2 SDF SMILES Flexibase

13674775

Analogs

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Popular Name: N-(4-ethoxyphenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(4-ethoxyphenyl)-N-[2-(4-formy…

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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	6.69	-20.99	0	8	0	87	431.514	7	↓ MOL2 SDF SMILES Flexibase

13675152

Analogs

12462286

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]benzenesulfonamide N-(3-chloro-4-methyl-phenyl)-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)	2.63	7.56	-17.25	0	7	0	78	435.933	5	↓ MOL2 SDF SMILES Flexibase

13675464

Analogs

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Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(3-nitrophenyl)benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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	7.13	-19.84	0	10	0	124	432.458	6	↓ MOL2 SDF SMILES Flexibase

13675751

Analogs

19913212

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Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-methyl-phenyl)-4-methyl-benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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)	2.46	8.71	-23.03	0	8	0	87	445.541	6	↓ MOL2 SDF SMILES Flexibase

13676190

Analogs

19905119

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Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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	7.73	-26.97	0	7	0	78	455.458	6	↓ MOL2 SDF SMILES Flexibase

13676505

Analogs

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Popular Name: N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-(3-methoxyphenyl)benzenesulfonamide N-[2-(4-formylpiperazin-1-yl)-2-…

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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)	1.61	6.05	-27.28	0	8	0	87	417.487	6	↓ MOL2 SDF SMILES Flexibase

13676551

Analogs

19877803

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-N-phenyl-benzenesulfonamide 4-ethoxy-N-[2-(4-formylpiperazin…

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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	6.54	-25.96	0	8	0	87	431.514	7	↓ 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

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