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ZINC Item

Suppliers, Protomers, & Similar Substances

36147263

Analogs

36147266

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carbo (3R)-1-[2-(3,4-dimethoxyphenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	9.51	-21.18	0	7	0	68	426.513	9	↓ MOL2 SDF SMILES Flexibase

36147266

Analogs

36147263

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carbo (3S)-1-[2-(3,4-dimethoxyphenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	9.43	-19.07	0	7	0	68	426.513	9	↓ MOL2 SDF SMILES Flexibase

36147505

Analogs

36147509
46635373
46635377
30863471
30863478

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Popular Name: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxa (3R)-1-[2-(3,4-dimethoxyphenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	11.65	-18.02	0	6	0	59	424.541	9	↓ MOL2 SDF SMILES Flexibase

36147509

Analogs

46635373
46635377
36147505
30863471
30863478

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-ethylphenyl)methyl]-N-methyl-5-oxo-pyrrolidine-3-carboxa (3S)-1-[2-(3,4-dimethoxyphenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	11.58	-16.24	0	6	0	59	424.541	9	↓ MOL2 SDF SMILES Flexibase

13256678

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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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	10.66	-48.3	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13256679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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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	10.53	-52.18	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13256680

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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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	9.83	-55.72	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13256681

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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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	10.57	-48.6	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13257054

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-3-[…

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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)	0.92	9.34	-53.46	1	8	-1	108	439.488	10	↓ MOL2 SDF SMILES Flexibase

13257055

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-3-[…

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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)	0.92	8.6	-60.73	1	8	-1	108	439.488	10	↓ MOL2 SDF SMILES Flexibase

13257056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-3-[…

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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)	0.92	9.34	-56.37	1	8	-1	108	439.488	10	↓ MOL2 SDF SMILES Flexibase

13257057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-3-[…

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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)	0.92	9.26	-52.84	1	8	-1	108	439.488	10	↓ MOL2 SDF SMILES Flexibase

13257601

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[(3S)…

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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	10.21	-48.46	1	6	-1	90	397.426	8	↓ MOL2 SDF SMILES Flexibase

13257602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[(3S)…

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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	10.08	-52.3	1	6	-1	90	397.426	8	↓ MOL2 SDF SMILES Flexibase

13257603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[(3R)…

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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	9.38	-55.93	1	6	-1	90	397.426	8	↓ MOL2 SDF SMILES Flexibase

13257604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[(3R)…

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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	10.11	-48.76	1	6	-1	90	397.426	8	↓ MOL2 SDF SMILES Flexibase

13257997

Analogs

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Popular Name: (3R)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[(3S)-5-oxo-1-phenethyl-…

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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)	1.72	10.81	-50.52	1	6	-1	90	393.463	8	↓ MOL2 SDF SMILES Flexibase

13257998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[(3S)-5-oxo-1-phenethyl-…

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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)	1.72	10.69	-54.57	1	6	-1	90	393.463	8	↓ MOL2 SDF SMILES Flexibase

13257999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[(3R)-5-oxo-1-phenethyl-…

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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)	1.72	9.99	-58.65	1	6	-1	90	393.463	8	↓ MOL2 SDF SMILES Flexibase

13258000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[(3R)-5-oxo-1-phenethyl-…

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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)	1.72	10.03	-57.84	1	6	-1	90	393.463	8	↓ MOL2 SDF SMILES Flexibase

13258957

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[(3S)…

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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)	1.90	10.73	-52.46	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13258958

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[(3S)…

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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)	1.90	10.68	-57.4	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13258959

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[(3R)…

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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)	1.90	10.33	-51	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13258960

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[(3R)…

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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)	1.90	10.68	-53.27	1	6	-1	90	413.881	8	↓ MOL2 SDF SMILES Flexibase

13261521

Analogs

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Popular Name: 4-[[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]methyl]benzoic 4-[[[(3S)-5-oxo-1-phenethyl-pyrr…

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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	8.59	-57.75	1	6	-1	90	365.409	7	↓ MOL2 SDF SMILES Flexibase

13261522

Analogs

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Popular Name: 4-[[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]methyl]benzoic 4-[[[(3R)-5-oxo-1-phenethyl-pyrr…

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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	8.59	-57.6	1	6	-1	90	365.409	7	↓ MOL2 SDF SMILES Flexibase

13427067

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-methoxyphenyl)-3-[[(3S…

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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	9.43	-50.83	1	7	-1	99	409.462	9	↓ MOL2 SDF SMILES Flexibase

13427069

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-methoxyphenyl)-3-[[(3S…

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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	8.66	-58.89	1	7	-1	99	409.462	9	↓ MOL2 SDF SMILES Flexibase

13427071

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3R)-3-(4-methoxyphenyl)-3-[[(3R…

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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	8.61	-59.3	1	7	-1	99	409.462	9	↓ MOL2 SDF SMILES Flexibase

13427073

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]propanoic (3S)-3-(4-methoxyphenyl)-3-[[(3R…

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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	8.65	-58.68	1	7	-1	99	409.462	9	↓ MOL2 SDF SMILES Flexibase

13427676

Analogs

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Popular Name: (3R)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[(3S)-5-oxo-1-phenethyl-…

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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	10.06	-50.73	1	6	-1	90	379.436	8	↓ MOL2 SDF SMILES Flexibase

13427677

Analogs

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Popular Name: (3S)-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[(3S)-5-oxo-1-phenethyl-…

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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	9.33	-57.9	1	6	-1	90	379.436	8	↓ MOL2 SDF SMILES Flexibase

13427678

Analogs

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Popular Name: (3R)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[(3R)-5-oxo-1-phenethyl-…

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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	10.13	-55.13	1	6	-1	90	379.436	8	↓ MOL2 SDF SMILES Flexibase

13427679

Analogs

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Popular Name: (3S)-3-[[(3R)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[(3R)-5-oxo-1-phenethyl-…

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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	10.05	-50.79	1	6	-1	90	379.436	8	↓ MOL2 SDF SMILES Flexibase

69161811

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Popular Name: (3R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxami (3R)-N-[(1S)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	9.53	-17.14	1	6	0	68	430.932	8	↓ MOL2 SDF SMILES Flexibase

69161812

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Popular Name: (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxami (3R)-N-[(1R)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	9.53	-16.88	1	6	0	68	430.932	8	↓ MOL2 SDF SMILES Flexibase

69161813

Analogs

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Popular Name: (3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxami (3S)-N-[(1S)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	9.53	-16.48	1	6	0	68	430.932	8	↓ MOL2 SDF SMILES Flexibase

69161814

Analogs

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Popular Name: (3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxami (3S)-N-[(1R)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	9.53	-16.62	1	6	0	68	430.932	8	↓ MOL2 SDF SMILES Flexibase

69161823

Analogs

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Popular Name: (3R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide (3R)-N-[(1S)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	10.33	-12.96	1	4	0	49	370.88	6	↓ MOL2 SDF SMILES Flexibase

69161824

Analogs

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Popular Name: (3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide (3R)-N-[(1R)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	10.33	-12.71	1	4	0	49	370.88	6	↓ MOL2 SDF SMILES Flexibase

69161825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide (3S)-N-[(1S)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	10.33	-12.61	1	4	0	49	370.88	6	↓ MOL2 SDF SMILES Flexibase

69161826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide (3S)-N-[(1R)-1-(4-chlorophenyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	10.33	-12.86	1	4	0	49	370.88	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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