ZINC 12

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ZINC Item

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54768328

Analogs

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Popular Name: (2R)-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(3R)-tetrahydropyran-3-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)	-1.40	4.56	-58.42	0	5	-1	70	226.252	2	↓ MOL2 SDF SMILES Flexibase

54768329

Analogs

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Popular Name: (2S)-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(3R)-tetrahydropyran-3-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)	-1.40	4.57	-58.54	0	5	-1	70	226.252	2	↓ MOL2 SDF SMILES Flexibase

54768330

Analogs

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Popular Name: (2R)-1-[(3S)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[(3S)-tetrahydropyran-3-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)	-1.40	4.94	-58.75	0	5	-1	70	226.252	2	↓ MOL2 SDF SMILES Flexibase

54768331

Analogs

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Popular Name: (2S)-1-[(3S)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[(3S)-tetrahydropyran-3-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)	-1.40	4.42	-59.12	0	5	-1	70	226.252	2	↓ MOL2 SDF SMILES Flexibase

54768354

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(3S)-tetrahydropyran-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)	-2.32	1.19	-59.39	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768355

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(3R)-tetrahydropyran-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)	-2.32	1.04	-59.99	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768356

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(3S)-tetrahydropyran-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)	-2.32	1.19	-60.57	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768357

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(3R)-tetrahydropyran-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)	-2.32	1.04	-61.07	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768427

Analogs

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Popular Name: (2R,4R)-4-methoxy-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-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)	-1.70	3.52	-57.67	0	6	-1	79	256.278	3	↓ MOL2 SDF SMILES Flexibase

54768428

Analogs

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Popular Name: (2R,4S)-4-methoxy-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-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)	-1.70	3.52	-58.68	0	6	-1	79	256.278	3	↓ MOL2 SDF SMILES Flexibase

54768429

Analogs

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Popular Name: (2S,4R)-4-methoxy-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-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)	-1.70	3.37	-55.18	0	6	-1	79	256.278	3	↓ MOL2 SDF SMILES Flexibase

54768430

Analogs

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Popular Name: (2S,4S)-4-methoxy-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-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)	-1.70	3.54	-57.87	0	6	-1	79	256.278	3	↓ MOL2 SDF SMILES Flexibase

54768603

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(3S)-tetrahydropyran-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)	-2.32	1.13	-60.42	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768604

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(3R)-tetrahydropyran-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)	-2.32	1.52	-60.54	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768605

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(3S)-tetrahydropyran-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)	-2.32	1.13	-59.33	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768606

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(3R)-tetrahydropyran-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)	-2.32	1.52	-59.76	1	6	-1	90	242.251	2	↓ MOL2 SDF SMILES Flexibase

54768630

Analogs

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Popular Name: 2-[(2R)-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(3R)-tetrahydropyran-…

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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	4.85	-52.54	0	5	-1	70	240.279	3	↓ MOL2 SDF SMILES Flexibase

54768631

Analogs

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Popular Name: 2-[(2S)-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3R)-tetrahydropyran-…

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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	6.22	-64.16	0	5	-1	70	240.279	3	↓ MOL2 SDF SMILES Flexibase

54768632

Analogs

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Popular Name: 2-[(2R)-1-[(3S)-tetrahydropyran-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(3S)-tetrahydropyran-…

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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	6.18	-63.91	0	5	-1	70	240.279	3	↓ MOL2 SDF SMILES Flexibase

54768633

Analogs

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Popular Name: 2-[(2S)-1-[(3S)-tetrahydropyran-3-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(3S)-tetrahydropyran-…

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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	4.83	-52.59	0	5	-1	70	240.279	3	↓ MOL2 SDF SMILES Flexibase

54768950

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	0.18	1.08	-7.55	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768951

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	0.18	1.23	-7.55	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768952

Analogs

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Popular Name: [(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	0.18	1.24	-7.57	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768953

Analogs

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Popular Name: [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	0.18	1.09	-7.56	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768980

Analogs

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Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	0.29	1.01	-8.49	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768981

Analogs

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Popular Name: [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	0.29	1.02	-8.28	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768983

Analogs

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Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	0.29	1	-8.27	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768984

Analogs

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Popular Name: [(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	0.29	1.02	-8.27	1	4	0	50	213.277	2	↓ MOL2 SDF SMILES Flexibase

54768993

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	0.72	2.39	-8.94	1	4	0	50	241.331	4	↓ MOL2 SDF SMILES Flexibase

54768994

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	0.72	2.23	-9.16	1	4	0	50	241.331	4	↓ MOL2 SDF SMILES Flexibase

54768995

Analogs

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Popular Name: [(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	0.72	2.29	-9.39	1	4	0	50	241.331	4	↓ MOL2 SDF SMILES Flexibase

54768996

Analogs

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Popular Name: [(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	0.72	2.38	-8.81	1	4	0	50	241.331	4	↓ MOL2 SDF SMILES Flexibase

54769175

Analogs

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Popular Name: [(3S)-3-aminopyrrolidin-1-yl]-[(3S)-tetrahydropyran-3-yl]methanone [(3S)-3-aminopyrrolidin-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)	-0.58	0.98	-52.3	3	4	1	57	199.274	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	0.68	-7.75	2	4	0	56	198.266	1	↓ MOL2 SDF SMILES Flexibase

54769176

Analogs

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Popular Name: [(3S)-3-aminopyrrolidin-1-yl]-[(3R)-tetrahydropyran-3-yl]methanone [(3S)-3-aminopyrrolidin-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)	-0.58	0.99	-52.21	3	4	1	57	199.274	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	0.7	-7.82	2	4	0	56	198.266	1	↓ MOL2 SDF SMILES Flexibase

54769177

Analogs

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Popular Name: [(3R)-3-aminopyrrolidin-1-yl]-[(3S)-tetrahydropyran-3-yl]methanone [(3R)-3-aminopyrrolidin-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)	-0.58	0.98	-52.46	3	4	1	57	199.274	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	0.69	-7.78	2	4	0	56	198.266	1	↓ MOL2 SDF SMILES Flexibase

54769178

Analogs

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Popular Name: [(3R)-3-aminopyrrolidin-1-yl]-[(3R)-tetrahydropyran-3-yl]methanone [(3R)-3-aminopyrrolidin-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)	-0.58	0.99	-52.1	3	4	1	57	199.274	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	0.53	-7.93	2	4	0	56	198.266	1	↓ MOL2 SDF SMILES Flexibase

54769179

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	-0.27	1.69	-54.36	3	4	1	57	213.301	2	↓ MOL2 SDF SMILES Flexibase

54769180

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	-0.27	1.7	-54.31	3	4	1	57	213.301	2	↓ MOL2 SDF SMILES Flexibase

54769181

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(3S)-tetrahydropyran-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)	-0.27	1.68	-54.69	3	4	1	57	213.301	2	↓ MOL2 SDF SMILES Flexibase

54769182

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(3R)-tetrahydropyran-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)	-0.27	1.7	-54.23	3	4	1	57	213.301	2	↓ MOL2 SDF SMILES Flexibase

54769334

Analogs

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Popular Name: ethyl ethyl

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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)	1.05	5.87	-12.69	0	5	0	56	255.314	4	↓ MOL2 SDF SMILES Flexibase

54769335

Analogs

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Popular Name: ethyl ethyl

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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)	1.05	5.91	-12.99	0	5	0	56	255.314	4	↓ MOL2 SDF SMILES Flexibase

54769337

Analogs

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Popular Name: ethyl ethyl

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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)	1.05	5.91	-12.99	0	5	0	56	255.314	4	↓ MOL2 SDF SMILES Flexibase

54769339

Analogs

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Popular Name: ethyl ethyl

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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)	1.05	6.17	-13.07	0	5	0	56	255.314	4	↓ MOL2 SDF SMILES Flexibase

62914127

Analogs

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Popular Name: (3S)-3-methyl-1-[(3R)-tetrahydropyran-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)	0.41	4.68	-43.47	0	5	-1	70	240.279	2	↓ MOL2 SDF SMILES Flexibase

62914128

Analogs

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Popular Name: (3R)-3-methyl-1-[(3R)-tetrahydropyran-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)	0.41	4.59	-53.51	0	5	-1	70	240.279	2	↓ MOL2 SDF SMILES Flexibase

62914129

Analogs

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Popular Name: (3S)-3-methyl-1-[(3S)-tetrahydropyran-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)	0.41	4.5	-50.31	0	5	-1	70	240.279	2	↓ MOL2 SDF SMILES Flexibase

62914130

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-tetrahydropyran-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)	0.41	4.76	-46.24	0	5	-1	70	240.279	2	↓ MOL2 SDF SMILES Flexibase

62916833

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-tetrahydrop…

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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)	0.75	5.17	-45.23	0	5	-1	70	254.306	3	↓ MOL2 SDF SMILES Flexibase

62916836

Analogs

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Popular Name: (3R)-3-ethyl-1-[(3R)-tetrahydropyran-3-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-tetrahydrop…

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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)	0.75	5.08	-52.74	0	5	-1	70	254.306	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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