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ZINC Item

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69980151

Analogs

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

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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)	-1.24	6.25	-62.82	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980152

Analogs

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Popular Name: (2S)-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(2S)-tetrahydrothiophene…

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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)	-1.24	6.14	-59.15	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980155

Analogs

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Popular Name: (2R)-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(2R)-tetrahydrothiophene…

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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)	-1.24	6.31	-58.59	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980157

Analogs

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

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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)	-1.24	6.16	-63.97	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980278

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(2R)-tetrah…

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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	2.77	-60.15	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980280

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(2S)-tetrah…

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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	2.75	-65.82	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980283

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(2R)-tetrah…

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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	2.77	-61.98	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980285

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(2S)-tetrah…

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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	2.75	-66.17	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980807

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[(2R)-tetrah…

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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	2.86	-65.24	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980812

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[(2S)-tetrah…

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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	2.85	-61.26	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980815

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[(2R)-tetrah…

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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	2.86	-64.98	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980817

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[(2S)-tetrah…

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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	2.85	-59.47	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980881

Analogs

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Popular Name: 2-[(2R)-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(2S)-tetrahydrothioph…

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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	6.53	-55.05	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69980884

Analogs

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Popular Name: 2-[(2S)-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2S)-tetrahydrothioph…

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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	6.56	-53.98	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69980889

Analogs

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Popular Name: 2-[(2R)-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(2R)-tetrahydrothioph…

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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	6.58	-53.63	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69980892

Analogs

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Popular Name: 2-[(2S)-1-[(2R)-tetrahydrothiophene-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2R)-tetrahydrothioph…

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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	6.59	-54.68	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69981255

Analogs

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

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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)	0.33	5.82	-49.69	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981259

Analogs

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

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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)	0.33	5.81	-50.53	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981263

Analogs

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

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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)	0.33	5.82	-49.94	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981267

Analogs

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

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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)	0.33	5.82	-49.43	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981292

Analogs

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

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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	6.23	-53.41	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981295

Analogs

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

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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	6.28	-53.48	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981298

Analogs

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

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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	6.24	-50.93	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981300

Analogs

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

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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	6.33	-57.69	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981323

Analogs

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Popular Name: (3R,4S)-4-methyl-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-3-carboxylic (3R,4S)-4-methyl-1-[(2S)-tetrahy…

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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)	0.80	6.3	-45.06	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981326

Analogs

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Popular Name: (3R,4R)-4-methyl-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-3-carboxylic (3R,4R)-4-methyl-1-[(2S)-tetrahy…

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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)	0.80	6.37	-44.67	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981329

Analogs

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Popular Name: (3S,4S)-4-methyl-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-3-carboxylic (3S,4S)-4-methyl-1-[(2S)-tetrahy…

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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)	0.80	6.42	-48.85	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981335

Analogs

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Popular Name: (3S,4R)-4-methyl-1-[(2S)-tetrahydrothiophene-2-carbonyl]pyrrolidine-3-carboxylic (3S,4R)-4-methyl-1-[(2S)-tetrahy…

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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)	0.80	6.3	-43.51	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69985943

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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)	0.34	2.79	-9.09	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69985945

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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)	0.34	2.8	-8.46	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69985947

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(2R)-2-(hydroxymethyl)pyrrolidi…

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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)	0.34	2.85	-8.52	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69985948

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(2S)-2-(hydroxymethyl)pyrrolidi…

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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)	0.34	2.82	-9.23	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986035

Analogs

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Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(3S)-3-(hydroxymethyl)pyrrolidi…

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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)	0.45	2.59	-9.81	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986037

Analogs

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Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3S)-3-(hydroxymethyl)pyrrolidi…

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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)	0.45	2.57	-9.39	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986039

Analogs

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Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(3R)-3-(hydroxymethyl)pyrrolidi…

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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)	0.45	2.58	-9.27	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986042

Analogs

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Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3R)-3-(hydroxymethyl)pyrrolidi…

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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)	0.45	2.58	-9.89	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986091

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(2R)-2-(3-hydroxypropyl)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)	0.88	4.07	-9.9	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986093

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(2S)-2-(3-hydroxypropyl)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)	0.88	4.1	-9.87	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986095

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(2R)-2-(3-hydroxypropyl)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)	0.88	4.12	-10.24	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986097

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(2S)-2-(3-hydroxypropyl)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)	0.88	4.11	-9.62	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986136

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(3S)-3-hydroxypyrrolidin-1-yl]-…

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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)	0.07	1.91	-10.6	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986138

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3S)-3-hydroxypyrrolidin-1-yl]-…

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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)	0.07	1.91	-11.24	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986139

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(3R)-3-hydroxypyrrolidin-1-yl]-…

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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)	0.07	1.93	-11.98	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986142

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3R)-3-hydroxypyrrolidin-1-yl]-…

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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)	0.07	1.91	-11.48	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986684

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.12	3.27	-54.27	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986686

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.12	3.25	-54.85	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986689

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-tetrahydrothiophen-2-yl]methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.12	3.26	-54.83	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986692

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.12	3.26	-54.3	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986913

Analogs

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Popular Name: [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3S)-3-(methylaminomethyl)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)	0.87	5.11	-48.29	2	3	1	37	229.369	3	↓ MOL2 SDF SMILES Flexibase

69986915

Analogs

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Popular Name: [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(2S)-tetrahydrothiophen-2-yl]methanone [(3R)-3-(methylaminomethyl)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)	0.87	5.1	-48.95	2	3	1	37	229.369	3	↓ 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

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