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ZINC Item

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62922187

Analogs

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Popular Name: (3S)-3-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(pyrrolidine-1-c…

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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)	0.63	5.42	-45.61	0	5	-1	64	225.268	1	↓ MOL2 SDF SMILES Flexibase

62922189

Analogs

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Popular Name: (3R)-3-methyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(pyrrolidine-1-c…

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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)	0.63	5.49	-48.52	0	5	-1	64	225.268	1	↓ MOL2 SDF SMILES Flexibase

62922192

Analogs

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Popular Name: (3S)-3-ethyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(pyrrolidine-1-ca…

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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	6.08	-45.69	0	5	-1	64	239.295	2	↓ MOL2 SDF SMILES Flexibase

62922194

Analogs

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Popular Name: (3R)-3-ethyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(pyrrolidine-1-ca…

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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	5.99	-47.55	0	5	-1	64	239.295	2	↓ MOL2 SDF SMILES Flexibase

62922196

Analogs

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Popular Name: (3S)-3-propyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(pyrrolidine-1-c…

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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)	1.53	6.85	-45.99	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62922198

Analogs

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Popular Name: (3R)-3-propyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(pyrrolidine-1-c…

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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)	1.53	6.74	-47.84	0	5	-1	64	253.322	3	↓ MOL2 SDF SMILES Flexibase

62924579

Analogs

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Popular Name: (3S)-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-carbamoylpyrrolid…

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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	2.58	-58.29	2	7	-1	107	268.293	2	↓ MOL2 SDF SMILES Flexibase

62924580

Analogs

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Popular Name: (3R)-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-carbamoylpyrrolid…

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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	2.56	-72.7	2	7	-1	107	268.293	2	↓ MOL2 SDF SMILES Flexibase

62924581

Analogs

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Popular Name: (3S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-carbamoylpyrrolid…

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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	3.43	-53.97	2	7	-1	107	268.293	2	↓ MOL2 SDF SMILES Flexibase

62924582

Analogs

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Popular Name: (3R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-carbamoylpyrrolid…

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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	3.53	-66.86	2	7	-1	107	268.293	2	↓ MOL2 SDF SMILES Flexibase

62924585

Analogs

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Popular Name: (3S)-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-carbamoylpyrrolid…

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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)	0.25	3.15	-58.52	2	7	-1	107	282.32	3	↓ MOL2 SDF SMILES Flexibase

62924586

Analogs

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Popular Name: (3R)-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-carbamoylpyrrolid…

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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)	0.25	3.06	-72.11	2	7	-1	107	282.32	3	↓ MOL2 SDF SMILES Flexibase

62924587

Analogs

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Popular Name: (3S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-carbamoylpyrrolid…

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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)	0.25	4.11	-62.4	2	7	-1	107	282.32	3	↓ MOL2 SDF SMILES Flexibase

62924588

Analogs

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Popular Name: (3R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-carbamoylpyrrolid…

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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)	0.25	4.02	-66.21	2	7	-1	107	282.32	3	↓ MOL2 SDF SMILES Flexibase

62924591

Analogs

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Popular Name: (3S)-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-carbamoylpyrrolid…

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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)	0.81	3.91	-58.94	2	7	-1	107	296.347	4	↓ MOL2 SDF SMILES Flexibase

62924592

Analogs

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Popular Name: (3R)-1-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-carbamoylpyrrolid…

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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)	0.81	3.81	-72.56	2	7	-1	107	296.347	4	↓ MOL2 SDF SMILES Flexibase

62924593

Analogs

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Popular Name: (3S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-carbamoylpyrrolid…

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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)	0.81	4.87	-62.8	2	7	-1	107	296.347	4	↓ MOL2 SDF SMILES Flexibase

62924594

Analogs

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Popular Name: (3R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-carbamoylpyrrolid…

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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)	0.81	4.78	-66.64	2	7	-1	107	296.347	4	↓ MOL2 SDF SMILES Flexibase

62925101

Analogs

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Popular Name: (3S)-1-[(2R)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-methoxycarbonylpy…

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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	6.44	-53.66	0	7	-1	90	283.304	3	↓ MOL2 SDF SMILES Flexibase

62925102

Analogs

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Popular Name: (3R)-1-[(2R)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-methoxycarbonylpy…

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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	6.47	-68.43	0	7	-1	90	283.304	3	↓ MOL2 SDF SMILES Flexibase

62925103

Analogs

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Popular Name: (3S)-1-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-methoxycarbonylpy…

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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	6.81	-63.26	0	7	-1	90	283.304	3	↓ MOL2 SDF SMILES Flexibase

62925104

Analogs

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Popular Name: (3R)-1-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-methoxycarbonylpy…

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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	6.91	-58.33	0	7	-1	90	283.304	3	↓ MOL2 SDF SMILES Flexibase

62925105

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2R)-2-methoxycarbonylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-2-methoxyca…

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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	7.06	-54.72	0	7	-1	90	297.331	4	↓ MOL2 SDF SMILES Flexibase

62925106

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2R)-2-methoxycarbonylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-2-methoxyca…

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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	6.97	-67.86	0	7	-1	90	297.331	4	↓ MOL2 SDF SMILES Flexibase

62925107

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-2-methoxyca…

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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	7.49	-50.38	0	7	-1	90	297.331	4	↓ MOL2 SDF SMILES Flexibase

62925108

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-2-methoxyca…

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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	7.4	-57.35	0	7	-1	90	297.331	4	↓ MOL2 SDF SMILES Flexibase

62925858

Analogs

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Popular Name: (3R)-3-methyl-1-[(2R)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2R)-2-methylpy…

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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	6.12	-45.39	0	5	-1	64	239.295	1	↓ MOL2 SDF SMILES Flexibase

62925859

Analogs

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Popular Name: (3R)-3-methyl-1-[(2S)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2S)-2-methylpy…

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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	6.12	-45.3	0	5	-1	64	239.295	1	↓ MOL2 SDF SMILES Flexibase

62925860

Analogs

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Popular Name: (3S)-3-methyl-1-[(2R)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2R)-2-methylpy…

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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	6.19	-58.13	0	5	-1	64	239.295	1	↓ MOL2 SDF SMILES Flexibase

62925861

Analogs

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Popular Name: (3S)-3-methyl-1-[(2S)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2S)-2-methylpy…

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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	6.21	-57.65	0	5	-1	64	239.295	1	↓ MOL2 SDF SMILES Flexibase

62925864

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2S)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-2-methylpyr…

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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	6.77	-49.58	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925865

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2S)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-2-methylpyr…

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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	6.69	-57.4	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925866

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2R)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-2-methylpyr…

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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	6.78	-49.41	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925867

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Popular Name: (3R)-3-ethyl-1-[(2R)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-2-methylpyr…

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	6.69	-56.96	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925870

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Popular Name: (3S)-1-[(2S)-2-methylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-methylpyrrolidine…

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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)	1.86	7.54	-49.96	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925871

Analogs

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Popular Name: (3R)-1-[(2S)-2-methylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-methylpyrrolidine…

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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)	1.86	7.44	-57.74	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925872

Analogs

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Popular Name: (3S)-1-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-methylpyrrolidine…

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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)	1.86	7.54	-49.77	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925873

Analogs

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Popular Name: (3R)-1-[(2R)-2-methylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-methylpyrrolidine…

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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)	1.86	7.44	-57.32	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925878

Analogs

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Popular Name: (3R)-1-[(2R)-2-ethylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-ethylpyrrolidine-…

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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	6.61	-52.9	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925879

Analogs

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Popular Name: (3R)-1-[(2S)-2-ethylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-ethylpyrrolidine-…

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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	6.66	-52.66	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925880

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Popular Name: (3S)-1-[(2R)-2-ethylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-ethylpyrrolidine-…

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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	6.82	-57.19	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925881

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Popular Name: (3S)-1-[(2S)-2-ethylpyrrolidine-1-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-ethylpyrrolidine-…

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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	6.72	-56.82	0	5	-1	64	253.322	2	↓ MOL2 SDF SMILES Flexibase

62925886

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Popular Name: (3R)-3-ethyl-1-[(2R)-2-ethylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-2-ethylpyrr…

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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)	1.83	7.19	-54.08	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925887

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Popular Name: (3R)-3-ethyl-1-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-2-ethylpyrr…

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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)	1.83	7.24	-53.92	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925888

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2R)-2-ethylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-2-ethylpyrr…

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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)	1.83	7.18	-53.52	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925889

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-2-ethylpyrr…

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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)	1.83	7.23	-51.71	0	5	-1	64	267.349	3	↓ MOL2 SDF SMILES Flexibase

62925892

Analogs

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Popular Name: (3S)-1-[(2S)-2-ethylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-ethylpyrrolidine-…

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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	8.1	-49.08	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62925893

Analogs

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Popular Name: (3R)-1-[(2S)-2-ethylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-ethylpyrrolidine-…

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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	8.01	-56.41	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62925894

Analogs

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Popular Name: (3S)-1-[(2R)-2-ethylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-ethylpyrrolidine-…

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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	8.18	-45.16	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

62925895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-2-ethylpyrrolidine-1-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-ethylpyrrolidine-…

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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	8.08	-47.29	0	5	-1	64	281.376	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 309168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "309168"        

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