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ZINC Item

Suppliers, Protomers, & Similar Substances

5781259

Analogs

6353321

Draw Identity 99% 90% 80% 70%

Popular Name: (3-pyrrolidin-1-ylsulfonylphenyl)carbamoylmethyl (3-pyrrolidin-1-ylsulfonylphenyl…

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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	-3.51	-19.88	1	7	0	92	368.455	9	↓ MOL2 SDF SMILES Flexibase

6729006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide N-isobutyl-2-methyl-5-pyrrolidin…

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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)	2.35	-4.75	-10.7	1	5	0	66	324.446	5	↓ MOL2 SDF SMILES Flexibase

6729618

Analogs

31479214

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide 4-chloro-N-(2-methoxyethyl)-3-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)	1.44	-6.32	-15.57	1	6	0	75	346.836	6	↓ MOL2 SDF SMILES Flexibase

7151970

Analogs

32237865
32237866
39658110

Draw Identity 99% 90% 80% 70%

Popular Name: cyanomethyl cyanomethyl

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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	-0.68	-15.89	0	6	0	87	308.359	5	↓ MOL2 SDF SMILES Flexibase

7151980

Analogs

7151983
7151984
11718123
39657911
39657954

Draw Identity 99% 90% 80% 70%

Popular Name: isopropylcarbamoylmethyl isopropylcarbamoylmethyl

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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)	1.73	-3.79	-15.64	1	7	0	92	368.455	7	↓ MOL2 SDF SMILES Flexibase

7151982

Analogs

7151987
39657919

Draw Identity 99% 90% 80% 70%

Popular Name: methylcarbamoylmethyl methylcarbamoylmethyl

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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)	1.06	-4.38	-16.28	1	7	0	92	340.401	6	↓ MOL2 SDF SMILES Flexibase

7151983

Analogs

7151984
11718101
11718115
39657908
39657909

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethylpropylcarbamoylmethyl 1-ethylpropylcarbamoylmethyl

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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)	2.80	-3.5	-14.92	1	7	0	92	396.509	9	↓ MOL2 SDF SMILES Flexibase

7151984

Analogs

11718123
25781000
39657911
39657954
39657963

Draw Identity 99% 90% 80% 70%

Popular Name: diisopropylcarbamoylmethyl diisopropylcarbamoylmethyl

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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	-0.88	-17.93	0	7	0	83	410.536	8	↓ MOL2 SDF SMILES Flexibase

7151987

Analogs

25781000
39657919
7151982

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Popular Name: dimethylcarbamoylmethyl dimethylcarbamoylmethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	-2.54	-16.18	0	7	0	83	354.428	6	↓ MOL2 SDF SMILES Flexibase

7151992

Analogs

25781202
25781203
25781234
5301452
5301453

Draw Identity 99% 90% 80% 70%

Popular Name: isopropylcarbamoylcarbamoylmethyl isopropylcarbamoylcarbamoylmethyl

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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)	1.38	-5.06	-24.87	2	9	0	121	411.48	7	↓ MOL2 SDF SMILES Flexibase

8271604

Analogs

8271608

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide N-allyl-1-(4-fluorophenyl)sulfon…

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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)	1.55	-4.31	-17.1	1	5	0	66	312.366	5	↓ MOL2 SDF SMILES Flexibase

8271608

Analogs

8271604

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide N-allyl-1-(4-fluorophenyl)sulfon…

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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)	1.55	-4.24	-17.51	1	5	0	66	312.366	5	↓ MOL2 SDF SMILES Flexibase

40129639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-4-ethoxy-butanamide N-(4-chloro-3-pyrrolidin-1-ylsul…

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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	4.38	-21.1	1	6	0	76	374.89	8	↓ MOL2 SDF SMILES Flexibase

40337811

Analogs

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Popular Name: (2S)-1-(2-amino-4-fluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-amino-4-fluoro-phenyl)…

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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)	0.32	0.59	-17.75	3	6	0	93	301.343	3	↓ MOL2 SDF SMILES Flexibase

40337813

Analogs

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Popular Name: (2R)-1-(2-amino-4-fluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-amino-4-fluoro-phenyl)…

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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)	0.32	1.5	-18.65	3	6	0	93	301.343	3	↓ MOL2 SDF SMILES Flexibase

40337817

Analogs

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Popular Name: (2R)-1-(5-amino-2-methyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-amino-2-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	1.32	-22	3	6	0	93	297.38	3	↓ MOL2 SDF SMILES Flexibase

40337819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(5-amino-2-methyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-amino-2-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	1.11	-20.3	3	6	0	93	297.38	3	↓ MOL2 SDF SMILES Flexibase

40337821

Analogs

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Popular Name: (2S)-1-(5-amino-2-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-amino-2-chloro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	0.81	-19.91	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(5-amino-2-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-amino-2-chloro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	1.31	-20.08	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337825

Analogs

42272875
42272878

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Popular Name: (2S)-1-(4-amino-2-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-2-chloro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	0.82	-20.35	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337827

Analogs

42272875
42272878

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Popular Name: (2R)-1-(4-amino-2-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-2-chloro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	1.31	-20.39	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337839

Analogs

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Popular Name: (2S)-1-(3-amino-4-fluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(3-amino-4-fluoro-phenyl)…

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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)	0.32	0	-18.5	3	6	0	93	301.343	3	↓ MOL2 SDF SMILES Flexibase

40337841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3-amino-4-fluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(3-amino-4-fluoro-phenyl)…

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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)	0.32	1.21	-18.77	3	6	0	93	301.343	3	↓ MOL2 SDF SMILES Flexibase

40337858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(5-amino-2,4-difluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-amino-2,4-difluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.41	0.47	-18.19	3	6	0	93	319.333	3	↓ MOL2 SDF SMILES Flexibase

40337860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(5-amino-2,4-difluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-amino-2,4-difluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.41	1.15	-18.29	3	6	0	93	319.333	3	↓ MOL2 SDF SMILES Flexibase

40337876

Analogs

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Popular Name: (2R)-1-(3-amino-2-methyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(3-amino-2-methyl-phenyl)…

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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)	0.58	1.39	-22.15	3	6	0	93	297.38	3	↓ MOL2 SDF SMILES Flexibase

40337878

Analogs

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Popular Name: (2S)-1-(3-amino-2-methyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(3-amino-2-methyl-phenyl)…

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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)	0.58	1.12	-20.32	3	6	0	93	297.38	3	↓ MOL2 SDF SMILES Flexibase

40337884

Analogs

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Popular Name: (2S)-1-(2-amino-4-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-amino-4-chloro-phenyl)…

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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	1.04	-17.57	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337886

Analogs

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Popular Name: (2R)-1-(2-amino-4-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-amino-4-chloro-phenyl)…

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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	1.95	-18.55	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337890

Analogs

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Popular Name: (2S)-1-(5-amino-2-fluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-amino-2-fluoro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.09	0.38	-20.92	3	6	0	93	301.343	3	↓ MOL2 SDF SMILES Flexibase

40337892

Analogs

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Popular Name: (2R)-1-(5-amino-2-fluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-amino-2-fluoro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.09	1.06	-21.18	3	6	0	93	301.343	3	↓ MOL2 SDF SMILES Flexibase

40337894

Analogs

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Popular Name: (2R)-1-(5-amino-2-ethyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-amino-2-ethyl-phenyl)s…

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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)	0.67	2.73	-23.5	3	6	0	93	311.407	4	↓ MOL2 SDF SMILES Flexibase

40337896

Analogs

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Popular Name: (2S)-1-(5-amino-2-ethyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-amino-2-ethyl-phenyl)s…

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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)	0.67	1.26	-15.09	3	6	0	93	311.407	4	↓ MOL2 SDF SMILES Flexibase

40337910

Analogs

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Popular Name: (2S)-1-(4-amino-2-bromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-2-bromo-phenyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.56	1.09	-20.18	3	6	0	93	362.249	3	↓ MOL2 SDF SMILES Flexibase

40337912

Analogs

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Popular Name: (2R)-1-(4-amino-2-bromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-2-bromo-phenyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.56	1.41	-20.05	3	6	0	93	362.249	3	↓ MOL2 SDF SMILES Flexibase

40337926

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Popular Name: (2S)-1-(2-amino-4-bromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-amino-4-bromo-phenyl)s…

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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)	0.97	1.15	-17.52	3	6	0	93	362.249	3	↓ MOL2 SDF SMILES Flexibase

40337928

Analogs

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Popular Name: (2R)-1-(2-amino-4-bromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-amino-4-bromo-phenyl)s…

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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)	0.97	2.05	-18.53	3	6	0	93	362.249	3	↓ MOL2 SDF SMILES Flexibase

40337932

Analogs

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Popular Name: (2S)-1-(4-amino-2,6-dibromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-2,6-dibromo-phen…

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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)	1.30	1.5	-18.78	3	6	0	93	441.145	3	↓ MOL2 SDF SMILES Flexibase

40337934

Analogs

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Popular Name: (2R)-1-(4-amino-2,6-dibromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-2,6-dibromo-phen…

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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)	1.30	2.65	-19.09	3	6	0	93	441.145	3	↓ MOL2 SDF SMILES Flexibase

40337936

Analogs

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Popular Name: (2R)-1-(3-amino-2,6-dimethyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(3-amino-2,6-dimethyl-phe…

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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	2.38	-19.53	3	6	0	93	311.407	3	↓ MOL2 SDF SMILES Flexibase

40337938

Analogs

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Popular Name: (2S)-1-(3-amino-2,6-dimethyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(3-amino-2,6-dimethyl-phe…

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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	1.67	-19.12	3	6	0	93	311.407	3	↓ MOL2 SDF SMILES Flexibase

40337946

Analogs

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Popular Name: (2R)-1-(2-amino-6-methyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-amino-6-methyl-phenyl)…

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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)	0.58	2.1	-18.44	3	6	0	93	297.38	3	↓ MOL2 SDF SMILES Flexibase

40337948

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Popular Name: (2S)-1-(2-amino-6-methyl-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-amino-6-methyl-phenyl)…

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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)	0.58	1.04	-17.95	3	6	0	93	297.38	3	↓ MOL2 SDF SMILES Flexibase

40337964

Analogs

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Popular Name: (2S)-1-(4-amino-2,6-difluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-2,6-difluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.01	0.18	-22.99	3	6	0	93	319.333	3	↓ MOL2 SDF SMILES Flexibase

40337966

Analogs

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Popular Name: (2R)-1-(4-amino-2,6-difluoro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-2,6-difluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.01	1.36	-23.63	3	6	0	93	319.333	3	↓ MOL2 SDF SMILES Flexibase

40337972

Analogs

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Popular Name: (2S)-1-(2-amino-5-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-amino-5-chloro-phenyl)…

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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	1.04	-19.09	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337974

Analogs

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Popular Name: (2R)-1-(2-amino-5-chloro-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-amino-5-chloro-phenyl)…

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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	1.95	-20.38	3	6	0	93	317.798	3	↓ MOL2 SDF SMILES Flexibase

40337976

Analogs

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Popular Name: (2S)-1-(2-amino-5-bromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(2-amino-5-bromo-phenyl)s…

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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)	0.97	1.15	-19.01	3	6	0	93	362.249	3	↓ MOL2 SDF SMILES Flexibase

40337978

Analogs

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Popular Name: (2R)-1-(2-amino-5-bromo-phenyl)sulfonyl-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(2-amino-5-bromo-phenyl)s…

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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)	0.97	2.05	-20.28	3	6	0	93	362.249	3	↓ MOL2 SDF SMILES Flexibase

35632694

Analogs

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Popular Name: N-[(1S)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethyl]propan-1-amine N-[(1S)-1-(3-pyrrolidin-1-ylsulf…

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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	5.77	-48.89	2	4	1	54	297.444	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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