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ZINC Item

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62922287

Analogs

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Popular Name: (3S)-3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(morpholine-4-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)	0.08	3.51	-43.6	0	6	-1	73	241.267	1	↓ MOL2 SDF SMILES Flexibase

62922288

Analogs

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Popular Name: (3R)-3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(morpholine-4-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)	0.08	3.74	-47.92	0	6	-1	73	241.267	1	↓ MOL2 SDF SMILES Flexibase

62922291

Analogs

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Popular Name: (3S)-3-ethyl-1-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(morpholine-4-car…

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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	4.32	-42.59	0	6	-1	73	255.294	2	↓ MOL2 SDF SMILES Flexibase

62922293

Analogs

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Popular Name: (3R)-3-ethyl-1-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(morpholine-4-car…

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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	4.24	-46.92	0	6	-1	73	255.294	2	↓ MOL2 SDF SMILES Flexibase

62922295

Analogs

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Popular Name: (3S)-1-(morpholine-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(morpholine-4-carbonyl)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	5.09	-42.85	0	6	-1	73	269.321	3	↓ MOL2 SDF SMILES Flexibase

62922296

Analogs

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Popular Name: (3R)-1-(morpholine-4-carbonyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(morpholine-4-carbonyl)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	4.99	-47.25	0	6	-1	73	269.321	3	↓ MOL2 SDF SMILES Flexibase

62922558

Analogs

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Popular Name: (3R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,6R)-2,6-dimethylmorp…

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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	5.01	-42.7	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62922560

Analogs

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Popular Name: (3R)-1-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,6S)-2,6-dimethylmorp…

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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	5.18	-42.85	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62922563

Analogs

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Popular Name: (3R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R,6R)-2,6-dimethylmorp…

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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	5.19	-42.63	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62922565

Analogs

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Popular Name: (3S)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2S,6R)-2,6-dimethylmorp…

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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)	1.14	5.85	-42.16	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62922567

Analogs

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Popular Name: (3R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,6R)-2,6-dimethylmorp…

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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)	1.14	5.76	-46.67	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62922569

Analogs

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Popular Name: (3S)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2R,6R)-2,6-dimethylmorp…

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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)	1.14	5.99	-42.27	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62922571

Analogs

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Popular Name: (3R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2R,6R)-2,6-dimethylmorp…

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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)	1.14	5.91	-46.5	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62922572

Analogs

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Popular Name: (3S)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S,6R)-2,6-dimethylmorp…

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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	6.62	-42.41	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62922574

Analogs

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Popular Name: (3R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,6R)-2,6-dimethylmorp…

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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	6.51	-46.98	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62922577

Analogs

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Popular Name: (3S)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2R,6R)-2,6-dimethylmorp…

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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	6.75	-42.52	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62922579

Analogs

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Popular Name: (3R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2R,6R)-2,6-dimethylmorp…

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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	6.66	-46.8	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62922649

Analogs

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Popular Name: (3R)-3-methyl-1-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2R)-2-methylmo…

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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	4.28	-42.83	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62922651

Analogs

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Popular Name: (3R)-3-methyl-1-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2S)-2-methylmo…

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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	4.28	-43.05	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62922653

Analogs

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Popular Name: (3S)-3-methyl-1-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2R)-2-methylmo…

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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	4.49	-47.87	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62922655

Analogs

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Popular Name: (3S)-3-methyl-1-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2S)-2-methylmo…

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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	4.49	-47.79	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62922657

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-2-methylmor…

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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)	0.77	5.07	-42.32	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62922659

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-2-methylmor…

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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)	0.77	4.97	-46.81	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62922661

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-2-methylmor…

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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)	0.77	5.08	-42.45	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62922664

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2S)-2-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-2-methylmor…

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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)	0.77	5	-46.84	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62922666

Analogs

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Popular Name: (3S)-1-[(2R)-2-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-methylmorpholine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	5.84	-42.59	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62922667

Analogs

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Popular Name: (3R)-1-[(2R)-2-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-methylmorpholine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	5.73	-47.03	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62922670

Analogs

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Popular Name: (3S)-1-[(2S)-2-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-methylmorpholine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	5.86	-42.76	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62922672

Analogs

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Popular Name: (3R)-1-[(2S)-2-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-methylmorpholine-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	5.76	-47.08	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62925273

Analogs

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Popular Name: (3R)-3-methyl-1-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3R)-3-methylmo…

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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	4.32	-51.83	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62925274

Analogs

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Popular Name: (3R)-3-methyl-1-[(3S)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(3S)-3-methylmo…

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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	4.13	-51.73	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62925275

Analogs

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Popular Name: (3S)-3-methyl-1-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(3R)-3-methylmo…

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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	4.55	-52.56	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62925276

Analogs

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Popular Name: (3S)-3-methyl-1-[(3S)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(3S)-3-methylmo…

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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	4.44	-56.09	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62925277

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3S)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(3S)-3-methylmor…

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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)	0.74	4.9	-45.76	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62925278

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Popular Name: (3R)-3-ethyl-1-[(3S)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3S)-3-methylmor…

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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)	0.74	4.83	-55.17	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62925279

Analogs

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Popular Name: (3S)-3-ethyl-1-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(3R)-3-methylmor…

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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)	0.74	5.02	-45.87	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62925280

Analogs

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Popular Name: (3R)-3-ethyl-1-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(3R)-3-methylmor…

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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)	0.74	4.95	-55.08	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62925281

Analogs

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Popular Name: (3S)-1-[(3S)-3-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3S)-3-methylmorpholine-…

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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	5.66	-46.11	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62925282

Analogs

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Popular Name: (3R)-1-[(3S)-3-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3S)-3-methylmorpholine-…

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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	5.58	-55.49	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62925283

Analogs

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Popular Name: (3S)-1-[(3R)-3-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(3R)-3-methylmorpholine-…

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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	5.79	-46.08	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62925284

Analogs

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Popular Name: (3R)-1-[(3R)-3-methylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(3R)-3-methylmorpholine-…

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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	5.7	-55.49	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62925293

Analogs

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Popular Name: (3R)-1-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R,5R)-2,5-dimethylmorp…

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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)	0.77	5.06	-43.13	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62925294

Analogs

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Popular Name: (3R)-1-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,5R)-2,5-dimethylmorp…

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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)	0.77	5	-51.41	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62925295

Analogs

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Popular Name: (3R)-1-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R,5S)-2,5-dimethylmorp…

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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)	0.77	4.87	-51.4	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62925296

Analogs

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Popular Name: (3R)-1-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,5S)-2,5-dimethylmorp…

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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)	0.77	5	-42.9	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62925297

Analogs

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Popular Name: (3S)-1-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2S,5S)-2,5-dimethylmorp…

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Activity (Go SEA)

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)	1.10	5.77	-42.58	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62925298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2S,5S)-2,5-dimethylmorp…

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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)	1.10	5.69	-46.19	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62925299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(2R,5S)-2,5-dimethylmorp…

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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)	1.10	5.64	-45.14	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62925300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(2R,5S)-2,5-dimethylmorp…

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Activity (Go SEA)

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)	1.10	5.56	-54.74	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62925301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(2S,5S)-2,5-dimethylmorp…

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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)	1.66	6.55	-42.9	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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 = 309183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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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