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ZINC Item

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69980138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(3S)-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)	-1.13	6.07	-61.86	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980141

Analogs

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Popular Name: (2S)-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(3S)-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)	-1.13	5.95	-58.96	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980145

Analogs

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Popular Name: (2R)-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(3R)-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)	-1.13	6.38	-58.22	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980148

Analogs

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Popular Name: (2S)-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(3R)-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)	-1.13	5.92	-60.16	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69980264

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(3S)-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)	-2.04	2.52	-60.26	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980269

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(3R)-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)	-2.04	2.63	-58.58	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980271

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(3S)-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)	-2.04	2.52	-61.01	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980274

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(3R)-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)	-2.04	2.63	-60	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980793

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[(3S)-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)	-2.04	2.94	-60.92	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980796

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[(3R)-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)	-2.04	2.62	-61.43	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980801

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[(3S)-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)	-2.04	2.94	-60.03	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980805

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[(3R)-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)	-2.04	2.62	-60.74	1	5	-1	81	244.292	2	↓ MOL2 SDF SMILES Flexibase

69980868

Analogs

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Popular Name: 2-[(2R)-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(3S)-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)	0.60	6.4	-55.35	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69980872

Analogs

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Popular Name: 2-[(2S)-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3S)-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)	0.60	6.44	-54.27	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69980875

Analogs

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Popular Name: 2-[(2R)-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(3R)-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)	0.60	7.5	-64.36	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69980878

Analogs

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Popular Name: 2-[(2S)-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3R)-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)	0.60	6.34	-53.17	0	4	-1	60	242.32	3	↓ MOL2 SDF SMILES Flexibase

69981244

Analogs

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Popular Name: (3R)-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3R)-1-[(3S)-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)	0.44	5.63	-49.15	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981247

Analogs

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Popular Name: (3S)-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3S)-1-[(3S)-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)	0.44	5.63	-49.92	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981249

Analogs

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Popular Name: (3R)-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3R)-1-[(3R)-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)	0.44	5.58	-47.89	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981252

Analogs

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Popular Name: (3S)-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3S)-1-[(3R)-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)	0.44	5.58	-48.1	0	4	-1	60	228.293	2	↓ MOL2 SDF SMILES Flexibase

69981281

Analogs

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Popular Name: (3S)-3-methyl-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(3S)-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)	0.68	6.04	-53.05	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981283

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3S)-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)	0.68	6.11	-53.99	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981285

Analogs

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Popular Name: (3S)-3-methyl-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(3R)-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)	0.68	6	-50.26	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981289

Analogs

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Popular Name: (3R)-3-methyl-1-[(3R)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3R)-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)	0.68	6.19	-44.18	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981313

Analogs

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Popular Name: (3R,4S)-4-methyl-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3R,4S)-4-methyl-1-[(3S)-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)	0.92	6.15	-43.02	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981316

Analogs

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Popular Name: (3R,4R)-4-methyl-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3R,4R)-4-methyl-1-[(3S)-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)	0.92	6.22	-42.57	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981318

Analogs

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Popular Name: (3S,4S)-4-methyl-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3S,4S)-4-methyl-1-[(3S)-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)	0.92	6.26	-47.33	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69981321

Analogs

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Popular Name: (3S,4R)-4-methyl-1-[(3S)-tetrahydrothiophene-3-carbonyl]pyrrolidine-3-carboxylic (3S,4R)-4-methyl-1-[(3S)-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)	0.92	6.14	-41.61	0	4	-1	60	242.32	2	↓ MOL2 SDF SMILES Flexibase

69985950

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.45	2.63	-9.14	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69985952

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.45	2.63	-8.84	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69985953

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.45	2.68	-8.45	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69985956

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.45	2.59	-8.25	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986044

Analogs

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Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.56	2.39	-9.84	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986047

Analogs

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Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.56	2.39	-9.62	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986050

Analogs

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Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.56	2.34	-8.69	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986052

Analogs

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Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.56	2.35	-8.81	1	3	0	41	215.318	2	↓ MOL2 SDF SMILES Flexibase

69986098

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.99	3.95	-10.57	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986100

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.99	3.98	-10.44	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986101

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.99	3.72	-10.54	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986104

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.99	3.88	-9.43	1	3	0	41	243.372	4	↓ MOL2 SDF SMILES Flexibase

69986143

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.18	1.72	-11.22	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986145

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.18	1.74	-12.23	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986146

Analogs

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Popular Name: [(3R)-3-hydroxypyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.18	1.67	-10.34	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986150

Analogs

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Popular Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.18	1.7	-10.94	1	3	0	41	201.291	1	↓ MOL2 SDF SMILES Flexibase

69986677

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.00	3.08	-55.61	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986678

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.00	3.07	-55.8	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986680

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.00	3.03	-55.07	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986682

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[(3R)-tetrahydrothiophen-3-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)	0.00	3.03	-54.91	3	3	1	48	215.342	2	↓ MOL2 SDF SMILES Flexibase

69986906

Analogs

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Popular Name: [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.98	4.94	-50.32	2	3	1	37	229.369	3	↓ MOL2 SDF SMILES Flexibase

69986908

Analogs

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Popular Name: [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(3S)-tetrahydrothiophen-3-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)	0.98	4.94	-50.55	2	3	1	37	229.369	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 510487
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 = 510487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<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', {
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