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ZINC Item

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57928946

Analogs

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Popular Name: 2-ethyl-5-nitro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-ethyl-5-nitro-N-[(3R)-1-(2,2,2…

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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)	2.88	4.31	-13.32	1	7	0	95	381.376	7	↓ MOL2 SDF SMILES Flexibase

57928949

Analogs

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Popular Name: 2-ethyl-5-nitro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-ethyl-5-nitro-N-[(3S)-1-(2,2,2…

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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)	2.88	4.28	-15.55	1	7	0	95	381.376	7	↓ MOL2 SDF SMILES Flexibase

57928961

Analogs

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Popular Name: 2-methyl-4-nitro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methyl-4-nitro-N-[(3R)-1-(2,2,…

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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)	2.42	3.42	-11.84	1	7	0	95	367.349	6	↓ MOL2 SDF SMILES Flexibase

57928964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-nitro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methyl-4-nitro-N-[(3S)-1-(2,2,…

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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)	2.42	3.39	-12.81	1	7	0	95	367.349	6	↓ MOL2 SDF SMILES Flexibase

57928983

Analogs

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Popular Name: N,N-dimethyl-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]benzamide N,N-dimethyl-3-[[(3R)-1-(2,2,2-t…

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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)	1.02	1.7	-16.03	1	6	0	70	379.404	6	↓ MOL2 SDF SMILES Flexibase

57928987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]benzamide N,N-dimethyl-3-[[(3S)-1-(2,2,2-t…

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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)	1.02	1.61	-17.48	1	6	0	70	379.404	6	↓ MOL2 SDF SMILES Flexibase

57928992

Analogs

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Popular Name: N-[2-[4-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]phenyl]ethyl]acetamide N-[2-[4-[[(3R)-1-(2,2,2-trifluor…

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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)	1.41	1.63	-17.5	2	6	0	79	393.431	8	↓ MOL2 SDF SMILES Flexibase

57928996

Analogs

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Popular Name: N-[2-[4-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]phenyl]ethyl]acetamide N-[2-[4-[[(3S)-1-(2,2,2-trifluor…

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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)	1.41	1.53	-17.44	2	6	0	79	393.431	8	↓ MOL2 SDF SMILES Flexibase

57929008

Analogs

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Popular Name: 4-methoxy-2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-methoxy-2,5-dimethyl-N-[(3R)-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)	2.89	2.77	-10.69	1	5	0	59	366.405	6	↓ MOL2 SDF SMILES Flexibase

57929012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-2,5-dimethyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-methoxy-2,5-dimethyl-N-[(3S)-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)	2.89	2.73	-11.81	1	5	0	59	366.405	6	↓ MOL2 SDF SMILES Flexibase

57929130

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-fluoro-4-methyl-N-[(3R)-1-(2,2…

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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)	2.62	2.55	-10.25	1	4	0	49	340.342	5	↓ MOL2 SDF SMILES Flexibase

57929136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-fluoro-4-methyl-N-[(3S)-1-(2,2…

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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)	2.62	2.46	-11.05	1	4	0	49	340.342	5	↓ MOL2 SDF SMILES Flexibase

57929140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-nitro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methoxy-4-nitro-N-[(3R)-1-(2,2…

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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)	2.02	2.23	-12.61	1	8	0	104	383.348	7	↓ MOL2 SDF SMILES Flexibase

57929143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-nitro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methoxy-4-nitro-N-[(3S)-1-(2,2…

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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)	2.02	2.25	-12.73	1	8	0	104	383.348	7	↓ MOL2 SDF SMILES Flexibase

57929163

Analogs

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Popular Name: 3-chloro-2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-chloro-2-methyl-N-[(3R)-1-(2,2…

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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)	3.11	3.02	-9.72	1	4	0	49	356.797	5	↓ MOL2 SDF SMILES Flexibase

57929166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-chloro-2-methyl-N-[(3S)-1-(2,2…

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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)	3.11	3.03	-10.39	1	4	0	49	356.797	5	↓ MOL2 SDF SMILES Flexibase

57929170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 5-fluoro-2-methyl-N-[(3R)-1-(2,2…

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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)	2.62	2.81	-10.48	1	4	0	49	340.342	5	↓ MOL2 SDF SMILES Flexibase

57929174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 5-fluoro-2-methyl-N-[(3S)-1-(2,2…

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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)	2.62	2.76	-12.03	1	4	0	49	340.342	5	↓ MOL2 SDF SMILES Flexibase

57929185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-chloro-4-methyl-N-[(3R)-1-(2,2…

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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)	3.13	2.95	-9.76	1	4	0	49	356.797	5	↓ MOL2 SDF SMILES Flexibase

57929189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-chloro-4-methyl-N-[(3S)-1-(2,2…

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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)	3.13	2.84	-10.56	1	4	0	49	356.797	5	↓ MOL2 SDF SMILES Flexibase

57929214

Analogs

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Popular Name: N-[3,5-dimethyl-4-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]phenyl]acetamide N-[3,5-dimethyl-4-[[(3R)-1-(2,2,…

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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)	2.05	2.26	-15.97	2	6	0	79	393.431	6	↓ MOL2 SDF SMILES Flexibase

57929218

Analogs

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Popular Name: N-[3,5-dimethyl-4-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]phenyl]acetamide N-[3,5-dimethyl-4-[[(3S)-1-(2,2,…

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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)	2.05	2.22	-15.86	2	6	0	79	393.431	6	↓ MOL2 SDF SMILES Flexibase

57929222

Analogs

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Popular Name: 2-methyl-6-nitro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methyl-6-nitro-N-[(3R)-1-(2,2,…

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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)	2.39	4.25	-15.9	1	7	0	95	367.349	6	↓ MOL2 SDF SMILES Flexibase

57929224

Analogs

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Popular Name: 2-methyl-6-nitro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methyl-6-nitro-N-[(3S)-1-(2,2,…

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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)	2.39	4.24	-14.49	1	7	0	95	367.349	6	↓ MOL2 SDF SMILES Flexibase

57929239

Analogs

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Popular Name: 4-chloro-3-cyano-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-chloro-3-cyano-N-[(3R)-1-(2,2,…

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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)	2.44	2.65	-12.51	1	5	0	73	367.78	5	↓ MOL2 SDF SMILES Flexibase

57929242

Analogs

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Popular Name: 4-chloro-3-cyano-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-chloro-3-cyano-N-[(3S)-1-(2,2,…

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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)	2.44	2.55	-13.65	1	5	0	73	367.78	5	↓ MOL2 SDF SMILES Flexibase

57929244

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)	2.00	2.76	-15.96	1	7	0	85	396.387	9	↓ MOL2 SDF SMILES Flexibase

57929250

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)	2.00	2.67	-16.72	1	7	0	85	396.387	9	↓ MOL2 SDF SMILES Flexibase

57929275

Analogs

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Popular Name: 2-methylsulfonyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methylsulfonyl-N-[(3R)-1-(2,2,…

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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)	1.34	0.38	-16.69	1	6	0	84	386.417	6	↓ MOL2 SDF SMILES Flexibase

57929280

Analogs

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Popular Name: 2-methylsulfonyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methylsulfonyl-N-[(3S)-1-(2,2,…

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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)	1.34	0.71	-19.16	1	6	0	84	386.417	6	↓ MOL2 SDF SMILES Flexibase

57929589

Analogs

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Popular Name: N-methyl-4-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]benzamide N-methyl-4-[[(3R)-1-(2,2,2-trifl…

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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)	1.27	0.12	-15.39	2	6	0	79	365.377	6	↓ MOL2 SDF SMILES Flexibase

57929593

Analogs

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Popular Name: N-methyl-4-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]sulfamoyl]benzamide N-methyl-4-[[(3S)-1-(2,2,2-trifl…

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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)	1.27	0.04	-16.26	2	6	0	79	365.377	6	↓ MOL2 SDF SMILES Flexibase

57929619

Analogs

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Popular Name: 3,5-difluoro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3,5-difluoro-N-[(3R)-1-(2,2,2-tr…

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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)	2.34	2	-9.73	1	4	0	49	344.305	5	↓ MOL2 SDF SMILES Flexibase

57929624

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Popular Name: 3,5-difluoro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3,5-difluoro-N-[(3S)-1-(2,2,2-tr…

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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)	2.34	1.88	-9.84	1	4	0	49	344.305	5	↓ MOL2 SDF SMILES Flexibase

57929692

Analogs

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Popular Name: N1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzene-1,3-disulfonamide N1-[(3R)-1-(2,2,2-trifluoroethyl…

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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)	0.75	-3.19	-19.02	3	7	0	110	387.405	6	↓ MOL2 SDF SMILES Flexibase

57929698

Analogs

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Popular Name: N1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzene-1,3-disulfonamide N1-[(3S)-1-(2,2,2-trifluoroethyl…

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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)	0.75	-3.28	-19.54	3	7	0	110	387.405	6	↓ MOL2 SDF SMILES Flexibase

57929740

Analogs

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Popular Name: 2,3,4-trifluoro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2,3,4-trifluoro-N-[(3R)-1-(2,2,2…

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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)	2.43	1.53	-10.32	1	4	0	49	362.295	5	↓ MOL2 SDF SMILES Flexibase

57929744

Analogs

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Popular Name: 2,3,4-trifluoro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2,3,4-trifluoro-N-[(3S)-1-(2,2,2…

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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)	2.43	1.97	-11.48	1	4	0	49	362.295	5	↓ MOL2 SDF SMILES Flexibase

57929808

Analogs

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Popular Name: 3-cyano-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-cyano-N-[(3R)-1-(2,2,2-trifluo…

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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	2.23	-14.26	1	5	0	73	333.335	5	↓ MOL2 SDF SMILES Flexibase

57929812

Analogs

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Popular Name: 3-cyano-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 3-cyano-N-[(3S)-1-(2,2,2-trifluo…

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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	2.15	-14.14	1	5	0	73	333.335	5	↓ MOL2 SDF SMILES Flexibase

57929938

Analogs

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Popular Name: 4-ethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-ethyl-N-[(3R)-1-(2,2,2-trifluo…

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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)	3.00	3.28	-9.93	1	4	0	49	336.379	6	↓ MOL2 SDF SMILES Flexibase

57929941

Analogs

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Popular Name: 4-ethyl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-ethyl-N-[(3S)-1-(2,2,2-trifluo…

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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)	3.00	3.19	-10.24	1	4	0	49	336.379	6	↓ MOL2 SDF SMILES Flexibase

57929993

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Popular Name: 2-methoxy-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methoxy-N-[(3R)-1-(2,2,2-trifl…

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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)	2.09	1.53	-12.17	1	5	0	59	338.351	6	↓ MOL2 SDF SMILES Flexibase

57929998

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Popular Name: 2-methoxy-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methoxy-N-[(3S)-1-(2,2,2-trifl…

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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)	2.09	1.54	-12.34	1	5	0	59	338.351	6	↓ MOL2 SDF SMILES Flexibase

57930037

Analogs

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Popular Name: N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide N-[(3R)-1-(2,2,2-trifluoroethyl)…

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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	1.84	-10.37	1	4	0	49	308.325	5	↓ MOL2 SDF SMILES Flexibase

57930041

Analogs

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Popular Name: N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide N-[(3S)-1-(2,2,2-trifluoroethyl)…

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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	1.75	-10.75	1	4	0	49	308.325	5	↓ MOL2 SDF SMILES Flexibase

57930053

Analogs

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Popular Name: 2-methyl-5-nitro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methyl-5-nitro-N-[(3R)-1-(2,2,…

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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)	2.42	3.43	-14.01	1	7	0	95	367.349	6	↓ MOL2 SDF SMILES Flexibase

57930057

Analogs

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Popular Name: 2-methyl-5-nitro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 2-methyl-5-nitro-N-[(3S)-1-(2,2,…

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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)	2.42	3.4	-16.07	1	7	0	95	367.349	6	↓ MOL2 SDF SMILES Flexibase

57930107

Analogs

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Popular Name: 4-fluoro-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-fluoro-N-[(3R)-1-(2,2,2-triflu…

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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	1.91	-10.07	1	4	0	49	326.315	5	↓ MOL2 SDF SMILES Flexibase

57930110

Analogs

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Popular Name: 4-fluoro-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide 4-fluoro-N-[(3S)-1-(2,2,2-triflu…

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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	1.82	-10.43	1	4	0	49	326.315	5	↓ MOL2 SDF SMILES Flexibase

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