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ZINC Item

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54917867

Analogs

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Popular Name: (3S)-1-(2,5-dimethylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,5-dimethylphenyl)-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)	1.78	7.78	-50.1	1	4	0	68	232.259	2	↓ MOL2 SDF SMILES Flexibase

54917868

Analogs

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Popular Name: 1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(3-bromophenyl)-2-oxopyrrolidi…

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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	6.95	-55.58	1	4	0	68	283.101	2	↓ MOL2 SDF SMILES Flexibase

54917870

Analogs

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Popular Name: 1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(4-methoxyphenyl)-2-oxopyrroli…

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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)	1.01	5.63	-54.45	1	5	0	77	234.231	3	↓ MOL2 SDF SMILES Flexibase

54917871

Analogs

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Popular Name: 1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(3-chlorophenyl)-2-oxopyrrolid…

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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	6.86	-55.59	1	4	0	68	238.65	2	↓ MOL2 SDF SMILES Flexibase

54917872

Analogs

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Popular Name: 1-(3-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(3-fluorophenyl)-2-oxopyrrolid…

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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)	1.10	6.41	-56.62	1	4	0	68	222.195	2	↓ MOL2 SDF SMILES Flexibase

54917873

Analogs

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Popular Name: 1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(4-chlorophenyl)-2-oxopyrrolid…

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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	6.85	-54.14	1	4	0	68	238.65	2	↓ MOL2 SDF SMILES Flexibase

54917874

Analogs

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Popular Name: 1-(2-Methoxyphenyl)-2-oxopyrrolidine-3-carboxylicacid 1-(2-Methoxyphenyl)-2-oxopyrroli…

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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	5.83	-48.41	1	5	0	77	234.231	3	↓ MOL2 SDF SMILES Flexibase

54917875

Analogs

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Popular Name: (3S)-1-(4-ethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-ethoxyphenyl)-2-oxo-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)	1.39	6.55	-54.35	1	5	0	77	248.258	4	↓ MOL2 SDF SMILES Flexibase

54917876

Analogs

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Popular Name: (3S)-2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic (3S)-2-oxo-1-(2,4,6-trimethylphe…

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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)	2.16	7.95	-50.44	1	4	0	68	246.286	2	↓ MOL2 SDF SMILES Flexibase

54917877

Analogs

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Popular Name: (3S)-1-(2-ethyl-6-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-ethyl-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)	2.23	8.12	-49.6	1	4	0	68	246.286	3	↓ MOL2 SDF SMILES Flexibase

54917878

Analogs

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Popular Name: (3S)-1-(3-methylsulfanylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3-methylsulfanylphenyl)-…

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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)	1.37	7.35	-51.3	1	4	0	68	250.299	3	↓ MOL2 SDF SMILES Flexibase

54917880

Analogs

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Popular Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(5-chloro-2-methoxy-pheny…

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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	6.35	-49.9	1	5	0	77	268.676	3	↓ MOL2 SDF SMILES Flexibase

54917881

Analogs

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Popular Name: (3S)-2-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic (3S)-2-oxo-1-(3,4,5-trimethoxyph…

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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)	0.59	5.46	-56.24	1	7	0	95	294.283	5	↓ MOL2 SDF SMILES Flexibase

54917882

Analogs

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Popular Name: (3S)-1-(4-tert-butylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-tert-butylphenyl)-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)	2.66	8.66	-51.95	1	4	0	68	260.313	3	↓ MOL2 SDF SMILES Flexibase

54917883

Analogs

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Popular Name: 2-oxo-1-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid 2-oxo-1-[4-(propan-2-yl)phenyl]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)	2.47	8.27	-51.99	1	4	0	68	246.286	3	↓ MOL2 SDF SMILES Flexibase

54917884

Analogs

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Popular Name: (3S)-2-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic (3S)-2-oxo-1-[4-(trifluoromethox…

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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)	1.93	6.12	-55.93	1	5	0	77	288.201	4	↓ MOL2 SDF SMILES Flexibase

54917885

Analogs

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Popular Name: (3S)-1-(3-chloro-4-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3-chloro-4-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)	2.01	7.44	-55.28	1	4	0	68	252.677	2	↓ MOL2 SDF SMILES Flexibase

54917886

Analogs

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Popular Name: (3S)-1-(3,4-diethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3,4-diethoxyphenyl)-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)	1.36	7.38	-54.72	1	6	0	86	292.311	6	↓ MOL2 SDF SMILES Flexibase

54917888

Analogs

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Popular Name: (3S)-1-(3-chloro-2-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3-chloro-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)	1.99	7.57	-50.23	1	4	0	68	252.677	2	↓ MOL2 SDF SMILES Flexibase

54917889

Analogs

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Popular Name: (3S)-1-(2-isopropylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-isopropylphenyl)-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)	1.95	8.4	-48.96	1	4	0	68	246.286	3	↓ MOL2 SDF SMILES Flexibase

54917890

Analogs

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Popular Name: (3S)-1-(3,5-dimethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3,5-dimethoxyphenyl)-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)	1.00	4.94	-53.73	1	6	0	86	264.257	4	↓ MOL2 SDF SMILES Flexibase

54917891

Analogs

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Popular Name: (3S)-1-(2,5-dimethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,5-dimethoxyphenyl)-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)	1.00	5.11	-50.52	1	6	0	86	264.257	4	↓ MOL2 SDF SMILES Flexibase

54917892

Analogs

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Popular Name: (3S)-1-(3,4-dimethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3,4-dimethoxyphenyl)-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)	0.60	5.53	-55.09	1	6	0	86	264.257	4	↓ MOL2 SDF SMILES Flexibase

54917893

Analogs

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Popular Name: (3S)-1-(2-methoxy-5-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-methoxy-5-methyl-pheny…

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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)	1.39	6.5	-48.12	1	5	0	77	248.258	3	↓ MOL2 SDF SMILES Flexibase

54917895

Analogs

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Popular Name: (3S)-1-(5-chloro-2,4-dimethoxy-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(5-chloro-2,4-dimethoxy-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)	1.61	5.7	-51.7	1	6	0	86	298.702	4	↓ MOL2 SDF SMILES Flexibase

54917896

Analogs

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Popular Name: (3S)-1-(4-bromo-3-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-bromo-3-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)	2.14	7.52	-53.56	1	4	0	68	297.128	2	↓ MOL2 SDF SMILES Flexibase

54917897

Analogs

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Popular Name: (3S)-1-(2,5-diethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,5-diethoxyphenyl)-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)	1.75	6.98	-49.84	1	6	0	86	292.311	6	↓ MOL2 SDF SMILES Flexibase

54917899

Analogs

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Popular Name: (3S)-1-(4-methylsulfanylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-methylsulfanylphenyl)-…

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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)	1.39	7.35	-54.31	1	4	0	68	250.299	3	↓ MOL2 SDF SMILES Flexibase

54917900

Analogs

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Popular Name: (3S)-1-(2-bromo-4-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-bromo-4-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)	2.14	7.72	-45.64	1	4	0	68	297.128	2	↓ MOL2 SDF SMILES Flexibase

54917902

Analogs

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Popular Name: (3S)-1-(2,4-dimethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,4-dimethoxyphenyl)-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)	1.00	5.13	-48.8	1	6	0	86	264.257	4	↓ MOL2 SDF SMILES Flexibase

54917903

Analogs

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Popular Name: (3S)-1-(3-chloro-4-methoxy-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3-chloro-4-methoxy-pheny…

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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	6.19	-57.97	1	5	0	77	268.676	3	↓ MOL2 SDF SMILES Flexibase

54917904

Analogs

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Popular Name: (3S)-1-(2-ethoxyphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-ethoxyphenyl)-2-oxo-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)	1.34	6.77	-47.86	1	5	0	77	248.258	4	↓ MOL2 SDF SMILES Flexibase

54917905

Analogs

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Popular Name: (3S)-1-(2,6-diethylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,6-diethylphenyl)-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)	2.69	8.8	-49.1	1	4	0	68	260.313	4	↓ MOL2 SDF SMILES Flexibase

54917906

Analogs

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Popular Name: (3S)-1-(4-chloro-2-methoxy-5-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-2-methoxy-5-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)	2.00	6.93	-48.34	1	5	0	77	282.703	3	↓ MOL2 SDF SMILES Flexibase

54917908

Analogs

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Popular Name: (3S)-1-(2,6-dichloro-3-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,6-dichloro-3-methyl-ph…

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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	6.79	-146.93	0	4	-2	66	286.114	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.62	7.67	-46.11	1	4	0	68	287.122	2	↓ MOL2 SDF SMILES Flexibase

54917909

Analogs

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Popular Name: (3S)-1-(4-chloro-2,5-dimethoxy-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-2,5-dimethoxy-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)	1.61	5.67	-49.71	1	6	0	86	298.702	4	↓ MOL2 SDF SMILES Flexibase

54917910

Analogs

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Popular Name: (3S)-1-(4-bromo-2-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-bromo-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)	2.14	7.73	-51.56	1	4	0	68	297.128	2	↓ MOL2 SDF SMILES Flexibase

54917911

Analogs

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Popular Name: 1-(4-Fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(4-Fluorophenyl)-2-oxopyrrolid…

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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)	1.12	6.4	-54.88	1	4	0	68	222.195	2	↓ MOL2 SDF SMILES Flexibase

54917912

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Popular Name: (3S)-1-(2-ethylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-ethylphenyl)-2-oxo-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)	1.82	7.88	-48.78	1	4	0	68	232.259	3	↓ MOL2 SDF SMILES Flexibase

54917913

Analogs

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Popular Name: (3S)-1-(4-fluoro-2-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(4-fluoro-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)	1.50	7.18	-52.22	1	4	0	68	236.222	2	↓ MOL2 SDF SMILES Flexibase

54917914

Analogs

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Popular Name: (3S)-1-(2-fluorophenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-fluorophenyl)-2-oxo-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)	1.07	6.43	-48.74	1	4	0	68	222.195	2	↓ MOL2 SDF SMILES Flexibase

54917915

Analogs

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Popular Name: (3S)-1-(2,4-difluorophenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,4-difluorophenyl)-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)	1.21	6.5	-49.5	1	4	0	68	240.185	2	↓ MOL2 SDF SMILES Flexibase

54917916

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(3,4-difluorophenyl)-2-oxopyrr…

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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)	1.21	6.45	-59.69	1	4	0	68	240.185	2	↓ MOL2 SDF SMILES Flexibase

54917917

Analogs

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Popular Name: 1-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(4-ethylphenyl)-2-oxopyrrolidi…

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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)	1.87	7.78	-52.01	1	4	0	68	232.259	3	↓ MOL2 SDF SMILES Flexibase

54917918

Analogs

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Popular Name: (3S)-1-(3-fluoro-4-methyl-phenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(3-fluoro-4-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)	1.50	7.04	-56.46	1	4	0	68	236.222	2	↓ MOL2 SDF SMILES Flexibase

54917919

Analogs

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Popular Name: 2-oxo-1-phenylpyrrolidine-3-carboxylic acid 2-oxo-1-phenylpyrrolidine-3-carb…

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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)	0.96	6.34	-52.34	1	4	0	68	204.205	2	↓ MOL2 SDF SMILES Flexibase

54917920

Analogs

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Popular Name: (3S)-1-(2,4-dimethylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,4-dimethylphenyl)-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)	1.78	7.78	-50.09	1	4	0	68	232.259	2	↓ MOL2 SDF SMILES Flexibase

54917921

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid 1-(3,4-dimethylphenyl)-2-oxopyrr…

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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	7.56	-51.53	1	4	0	68	232.259	2	↓ MOL2 SDF SMILES Flexibase

54917922

Analogs

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Popular Name: (3S)-1-(2,3-dimethylphenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2,3-dimethylphenyl)-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)	1.76	7.68	-50.01	1	4	0	68	232.259	2	↓ MOL2 SDF SMILES Flexibase

54917923

Analogs

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Popular Name: (3S)-1-(2-chlorophenyl)-2-oxo-pyrrolidine-3-carboxylic (3S)-1-(2-chlorophenyl)-2-oxo-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)	1.59	6.93	-46.97	1	4	0	68	238.65	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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