ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6541259

Analogs

36980224

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(pyrrolidin-1-ylcarbonylmethyl)benzamide 4-bromo-N-(pyrrolidin-1-ylcarbon…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	5.11	-8.24	1	4	0	49	311.179	3	↓ MOL2 SDF SMILES Flexibase

61703865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-benzamide N-[2-[(3S)-3-hydroxypyrrolidin-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)	0.42	1.78	-11.42	2	5	0	70	262.309	3	↓ MOL2 SDF SMILES Flexibase

61703866

Analogs

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Popular Name: N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-benzamide N-[2-[(3R)-3-hydroxypyrrolidin-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)	0.42	1.76	-12.02	2	5	0	70	262.309	3	↓ MOL2 SDF SMILES Flexibase

61703867

Analogs

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Popular Name: 2-fluoro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]benzamide 2-fluoro-N-[2-[(3S)-3-hydroxypyr…

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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)	0.08	1.18	-14.23	2	5	0	70	266.272	3	↓ MOL2 SDF SMILES Flexibase

61703868

Analogs

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Popular Name: 2-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]benzamide 2-fluoro-N-[2-[(3R)-3-hydroxypyr…

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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)	0.08	1.16	-14.81	2	5	0	70	266.272	3	↓ MOL2 SDF SMILES Flexibase

61703869

Analogs

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Popular Name: 2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]benzamide 2-chloro-N-[2-[(3S)-3-hydroxypyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	1.61	-12.37	2	5	0	70	282.727	3	↓ MOL2 SDF SMILES Flexibase

61703870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]benzamide 2-chloro-N-[2-[(3R)-3-hydroxypyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	1.6	-12.96	2	5	0	70	282.727	3	↓ MOL2 SDF SMILES Flexibase

61703871

Analogs

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Popular Name: N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]-3-methyl-benzamide N-[2-[(3S)-3-hydroxypyrrolidin-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)	0.39	1.77	-11.57	2	5	0	70	262.309	3	↓ MOL2 SDF SMILES Flexibase

61703872

Analogs

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Popular Name: N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]-3-methyl-benzamide N-[2-[(3R)-3-hydroxypyrrolidin-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)	0.39	1.75	-12.19	2	5	0	70	262.309	3	↓ MOL2 SDF SMILES Flexibase

19442106

Analogs

37809438
37818194
37818226

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Popular Name: 4-amino-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 4-amino-N-(2-oxo-2-pyrrolidin-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)	-0.04	2.32	-12.29	3	5	0	75	247.298	3	↓ MOL2 SDF SMILES Flexibase

12537454

Analogs

37818194

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Popular Name: 4-dimethylamino-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 4-dimethylamino-N-(2-oxo-2-pyrro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.99	4.88	-10.31	1	5	0	53	275.352	4	↓ MOL2 SDF SMILES Flexibase

53662459

Analogs

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Popular Name: 3-(2-aminoethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3-(2-aminoethyl)-N-methyl-N-(2-o…

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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)	-0.38	5.29	-55.53	3	5	1	68	290.387	5	↓ MOL2 SDF SMILES Flexibase

36973997

Analogs

40718763
40718765
13541102
11890719

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Popular Name: (2R)-1-[2-[(3-bromobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-[(3-bromobenzoyl)amino…

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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)	-0.55	5.95	-58.16	1	6	-1	90	354.18	4	↓ MOL2 SDF SMILES Flexibase

36973999

Analogs

40718763
40718765
13541102
11890719

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(3-bromobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-[(3-bromobenzoyl)amino…

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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)	-0.55	6.05	-57.46	1	6	-1	90	354.18	4	↓ MOL2 SDF SMILES Flexibase

36974045

Analogs

40718763
40718765
13541102
193743

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Popular Name: (2R)-1-[2-[(2-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-[(2-chlorobenzoyl)amin…

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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)	-0.71	5.84	-58.6	1	6	-1	90	309.729	4	↓ MOL2 SDF SMILES Flexibase

36974047

Analogs

40718763
40718765
13541102
193743

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[(2-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-[(2-chlorobenzoyl)amin…

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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)	-0.71	5.94	-57.97	1	6	-1	90	309.729	4	↓ MOL2 SDF SMILES Flexibase

68852405

Analogs

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Popular Name: 3,4-diethoxy-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3,4-diethoxy-N-(2-oxo-2-pyrrolid…

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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)	1.28	5.54	-11.68	1	6	0	68	320.389	7	↓ MOL2 SDF SMILES Flexibase

58326775

Analogs

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Popular Name: N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-[methyl(propyl)amino]benzamide N-[(1S)-1-methyl-2-oxo-2-pyrroli…

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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)	2.19	7.23	-9.8	1	5	0	53	317.433	6	↓ MOL2 SDF SMILES Flexibase

58326776

Analogs

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Popular Name: N-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-4-[methyl(propyl)amino]benzamide N-[(1R)-1-methyl-2-oxo-2-pyrroli…

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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)	2.19	7.25	-9.8	1	5	0	53	317.433	6	↓ MOL2 SDF SMILES Flexibase

58328781

Analogs

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Popular Name: 4-[ethyl(methyl)amino]-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 4-[ethyl(methyl)amino]-N-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)	1.14	7.83	-16.88	0	5	0	44	303.406	5	↓ MOL2 SDF SMILES Flexibase

58332719

Analogs

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Popular Name: 5-ethyl-2-hydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 5-ethyl-2-hydroxy-N-methyl-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)	2.04	5.69	-17.16	1	5	0	61	290.363	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.04	6.56	-69.78	0	5	-1	64	289.355	4	↓ MOL2 SDF SMILES Flexibase

60614029

Analogs

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Popular Name: 3-acetamido-4-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3-acetamido-4-methyl-N-(2-oxo-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)	0.48	4.27	-18.99	2	6	0	79	303.362	4	↓ MOL2 SDF SMILES Flexibase

14244734

Analogs

7435846

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylsulfamoyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 4-(dimethylsulfamoyl)-N-(2-oxo-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)	0.20	2.48	-14.15	1	7	0	87	339.417	5	↓ MOL2 SDF SMILES Flexibase

14249986

Analogs

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Popular Name: N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-(trifluoromethyl)benzamide N-(2-oxo-2-pyrrolidin-1-yl-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	5.49	-8.61	1	4	0	49	300.28	4	↓ MOL2 SDF SMILES Flexibase

14556619

Analogs

25253995
45828318
6401125
6401399

Draw Identity 99% 90% 80% 70%

Popular Name: 3-nitro-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3-nitro-N-(2-oxo-2-pyrrolidin-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)	0.82	5.15	-13.85	1	7	0	95	277.28	4	↓ MOL2 SDF SMILES Flexibase

14556667

Analogs

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Popular Name: 3,5-dimethoxy-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3,5-dimethoxy-N-(2-oxo-2-pyrroli…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	3.09	-11.5	1	6	0	68	292.335	5	↓ MOL2 SDF SMILES Flexibase

62819788

Analogs

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Popular Name: 2-(ethylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 2-(ethylamino)-N-methyl-N-(2-oxo…

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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	6.32	-14.51	1	5	0	53	289.379	5	↓ MOL2 SDF SMILES Flexibase

62822774

Analogs

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Popular Name: 2-amino-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 2-amino-4-fluoro-N-methyl-N-(2-o…

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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)	0.23	4.66	-13.83	2	5	0	67	279.315	3	↓ MOL2 SDF SMILES Flexibase

69147276

Analogs

21003871

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Popular Name: 4-methoxy-N-[(1R)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]benzamide 4-methoxy-N-[(1R)-2-methyl-1-(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)	2.05	5.98	-8.6	1	5	0	59	304.39	5	↓ MOL2 SDF SMILES Flexibase

69147286

Analogs

21003941

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]benzamide 2-chloro-N-[(1R)-2-methyl-1-(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)	2.62	7.18	-8.91	1	4	0	49	308.809	4	↓ MOL2 SDF SMILES Flexibase

62912889

Analogs

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Popular Name: (3S)-1-(2-benzamidoacetyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2-benzamidoacetyl)-3-met…

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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)	0.47	5.4	-51.56	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

62912890

Analogs

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Popular Name: (3R)-1-(2-benzamidoacetyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2-benzamidoacetyl)-3-met…

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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)	0.47	5.48	-54.26	1	6	-1	90	289.311	4	↓ MOL2 SDF SMILES Flexibase

62972239

Analogs

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Popular Name: 4-amino-N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]benzamide 4-amino-N-[2-[(3R)-3-(dimethylam…

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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)	-0.29	3.45	-45.84	4	6	1	80	291.375	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.29	1.06	-10.43	3	6	0	79	290.367	4	↓ MOL2 SDF SMILES Flexibase

62972240

Analogs

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Popular Name: 4-amino-N-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxo-ethyl]benzamide 4-amino-N-[2-[(3S)-3-(dimethylam…

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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)	-0.29	3.45	-45.8	4	6	1	80	291.375	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.29	1.04	-10.4	3	6	0	79	290.367	4	↓ MOL2 SDF SMILES Flexibase

63011094

Analogs

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Popular Name: 3,4,5-trifluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3,4,5-trifluoro-N-methyl-N-(2-ox…

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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)	1.00	6.67	-14.73	0	4	0	41	300.28	3	↓ MOL2 SDF SMILES Flexibase

69508342

Analogs

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Popular Name: (2S)-1-[2-[(2,4-dimethoxybenzoyl)amino]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[(2,4-dimethoxybenzoyl…

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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)	0.57	3.51	-21.03	2	8	0	97	349.387	6	↓ MOL2 SDF SMILES Flexibase

69508346

Analogs

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Popular Name: (2R)-1-[2-[(2,4-dimethoxybenzoyl)amino]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[(2,4-dimethoxybenzoyl…

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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)	0.57	3.79	-21.07	2	8	0	97	349.387	6	↓ MOL2 SDF SMILES Flexibase

65564511

Analogs

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Popular Name: (2S)-1-[2-[(2,5-dimethoxybenzoyl)amino]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[2-[(2,5-dimethoxybenzoyl…

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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)	0.57	3.49	-21.94	2	8	0	97	349.387	6	↓ MOL2 SDF SMILES Flexibase

65564513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[(2,5-dimethoxybenzoyl)amino]acetyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[2-[(2,5-dimethoxybenzoyl…

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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)	0.57	3.77	-22.07	2	8	0	97	349.387	6	↓ MOL2 SDF SMILES Flexibase

65565616

Analogs

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Popular Name: 4-(dimethylamino)-3-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 4-(dimethylamino)-3-fluoro-N-met…

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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)	0.85	7.38	-14	0	5	0	44	307.369	4	↓ MOL2 SDF SMILES Flexibase

66960136

Analogs

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Popular Name: 3-cyano-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzamide 3-cyano-N-(2-oxo-2-pyrrolidin-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)	0.62	4.88	-12.3	1	5	0	73	257.293	3	↓ MOL2 SDF SMILES Flexibase

40662694

Analogs

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Popular Name: (2R)-2-[[(2S,3R)-2-[[(2S)-1-[(2R)-2-[(2,5-dihydroxybenzoyl)amino]butanoyl]pyrrolidine-2-carbonyl]ami (2R)-2-[[(2S,3R)-2-[[(2S)-1-[(2R…

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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	4.72	-59.59	5	12	-1	188	533.602	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	5.58	-112.9	4	12	-2	191	532.594	12	↓ MOL2 SDF SMILES Flexibase

40662697

Analogs

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Popular Name: (2R)-2-[[(2S,3S)-2-[[(2S)-1-[(2R)-2-[(2,5-dihydroxybenzoyl)amino]butanoyl]pyrrolidine-2-carbonyl]ami (2R)-2-[[(2S,3S)-2-[[(2S)-1-[(2R…

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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	4.35	-63.13	5	12	-1	188	533.602	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	5.04	-114.57	4	12	-2	191	532.594	12	↓ MOL2 SDF SMILES Flexibase

41247156

Analogs

41777928
39549419

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Popular Name: 2-methyl-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 2-methyl-N-[(1S)-1-methyl-2-oxo-…

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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	5.78	-8.71	1	4	0	49	260.337	3	↓ MOL2 SDF SMILES Flexibase

41247158

Analogs

41777932
49464910
49464913

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Popular Name: 3-methyl-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 3-methyl-N-[(1S)-1-methyl-2-oxo-…

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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)	1.64	5.77	-9.39	1	4	0	49	260.337	3	↓ MOL2 SDF SMILES Flexibase

41247164

Analogs

49464856

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 2-fluoro-N-[(1S)-1-methyl-2-oxo-…

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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)	1.33	5.18	-12.16	1	4	0	49	264.3	3	↓ MOL2 SDF SMILES Flexibase

41247167

Analogs

49464943

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 3-fluoro-N-[(1S)-1-methyl-2-oxo-…

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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)	1.35	5.17	-9.92	1	4	0	49	264.3	3	↓ MOL2 SDF SMILES Flexibase

41247170

Analogs

49464802

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 4-fluoro-N-[(1S)-1-methyl-2-oxo-…

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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	5.17	-8.37	1	4	0	49	264.3	3	↓ MOL2 SDF SMILES Flexibase

41247173

Analogs

42653849

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 2-bromo-N-[(1S)-1-methyl-2-oxo-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)	1.98	5.73	-9.8	1	4	0	49	325.206	3	↓ MOL2 SDF SMILES Flexibase

41247176

Analogs

49464961

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzamide 3-bromo-N-[(1S)-1-methyl-2-oxo-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)	2.00	5.72	-9.21	1	4	0	49	325.206	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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