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69145330

Analogs

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Popular Name: (3S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-3-carboxylic (3S)-1-[[(3S)-1,1-dioxothian-3-y…

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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	1.76	-63.38	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145331

Analogs

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Popular Name: (3S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-3-carboxylic (3S)-1-[[(3R)-1,1-dioxothian-3-y…

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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	1.77	-63.22	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145332

Analogs

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Popular Name: (3R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-3-carboxylic (3R)-1-[[(3S)-1,1-dioxothian-3-y…

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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	1.76	-63.02	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145333

Analogs

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Popular Name: (3R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-3-carboxylic (3R)-1-[[(3R)-1,1-dioxothian-3-y…

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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	1.75	-63.11	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145348

Analogs

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Popular Name: (2S,4R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-[[(3S)-1,1-dioxothian-…

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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)	-2.40	-0.88	-77.31	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145349

Analogs

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Popular Name: (2S,4R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-[[(3R)-1,1-dioxothian-…

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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)	-2.40	-0.88	-79.06	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145386

Analogs

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Popular Name: (3R,4S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methyl-pyrrolidine-3-carboxylic (3R,4S)-1-[[(3R)-1,1-dioxothian-…

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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	2.31	-51.94	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145387

Analogs

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Popular Name: (3R,4R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methyl-pyrrolidine-3-carboxylic (3R,4R)-1-[[(3R)-1,1-dioxothian-…

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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	2.37	-51.37	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145388

Analogs

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Popular Name: (3S,4S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methyl-pyrrolidine-3-carboxylic (3S,4S)-1-[[(3R)-1,1-dioxothian-…

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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	2.43	-60.63	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145389

Analogs

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Popular Name: (3S,4R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methyl-pyrrolidine-3-carboxylic (3S,4R)-1-[[(3R)-1,1-dioxothian-…

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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	2.26	-52.04	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145394

Analogs

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Popular Name: (2R,4R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[[(3S)-1,1-dioxothian-…

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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)	-2.40	-1.2	-78.12	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145395

Analogs

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Popular Name: (2R,4R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[[(3R)-1,1-dioxothian-…

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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)	-2.40	-1.21	-76.03	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145396

Analogs

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Popular Name: (2R,4S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[[(3S)-1,1-dioxothian-…

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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)	-2.40	-1.21	-79.51	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145397

Analogs

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Popular Name: (2R,4S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[[(3R)-1,1-dioxothian-…

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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)	-2.40	-1.2	-77.73	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145424

Analogs

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Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-2-carboxylic (2S)-1-[[(3R)-1,1-dioxothian-3-y…

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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)	-1.49	2.1	-72.29	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145425

Analogs

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Popular Name: (2S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-2-carboxylic (2S)-1-[[(3S)-1,1-dioxothian-3-y…

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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)	-1.49	2.09	-69.17	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145430

Analogs

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Popular Name: (3S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[[(3R)-1,1-dioxothian-3-y…

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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	2.2	-60.59	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145431

Analogs

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Popular Name: (3R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[[(3R)-1,1-dioxothian-3-y…

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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	2.33	-66.25	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145432

Analogs

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Popular Name: (3S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[[(3S)-1,1-dioxothian-3-y…

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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	2.21	-62.05	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145433

Analogs

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Popular Name: (3R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[[(3S)-1,1-dioxothian-3-y…

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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	2.33	-63.47	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

69145466

Analogs

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Popular Name: (2R,4R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-[[(3R)-1,1-dioxothian-…

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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)	-1.78	1.06	-68.21	1	8	-1	116	319.359	3	↓ MOL2 SDF SMILES Flexibase

69145467

Analogs

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Popular Name: (2R,4S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-[[(3R)-1,1-dioxothian-…

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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)	-1.78	1.06	-69.84	1	8	-1	116	319.359	3	↓ MOL2 SDF SMILES Flexibase

69145468

Analogs

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Popular Name: (2S,4R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-[[(3R)-1,1-dioxothian-…

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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)	-1.78	1.34	-67.64	1	8	-1	116	319.359	3	↓ MOL2 SDF SMILES Flexibase

69145469

Analogs

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Popular Name: (2S,4S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-[[(3R)-1,1-dioxothian-…

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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)	-1.78	1.18	-71.1	1	8	-1	116	319.359	3	↓ MOL2 SDF SMILES Flexibase

69145482

Analogs

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Popular Name: (3S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[[(3R)-1,1-dioxothian-3-y…

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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)	0.66	2.78	-55.44	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

69145483

Analogs

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Popular Name: (3R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[[(3R)-1,1-dioxothian-3-y…

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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)	0.66	2.81	-65.65	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

69145484

Analogs

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Popular Name: (3S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[[(3S)-1,1-dioxothian-3-y…

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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)	0.66	2.78	-56.83	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

69145485

Analogs

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Popular Name: (3R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[[(3S)-1,1-dioxothian-3-y…

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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)	0.66	2.81	-62.85	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

69145518

Analogs

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Popular Name: (2S,4S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-[[(3S)-1,1-dioxothian-…

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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)	-2.40	-0.88	-75.69	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145519

Analogs

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Popular Name: (2S,4S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-[[(3R)-1,1-dioxothian-…

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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)	-2.40	-0.88	-77.82	2	8	-1	127	305.332	2	↓ MOL2 SDF SMILES Flexibase

69145551

Analogs

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Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-2-carboxylic (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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)	-1.49	2.13	-68.44	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145552

Analogs

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Popular Name: (2R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidine-2-carboxylic (2R)-1-[[(3S)-1,1-dioxothian-3-y…

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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)	-1.49	2.13	-71.62	1	7	-1	107	289.333	2	↓ MOL2 SDF SMILES Flexibase

69145644

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Popular Name: 2-[(2R)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[[(3R)-1,1-dioxothian-…

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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)	0.24	2.5	-63.74	1	7	-1	107	303.36	3	↓ MOL2 SDF SMILES Flexibase

69145645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[[(3R)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[[(3R)-1,1-dioxothian-…

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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)	0.24	2.54	-64.52	1	7	-1	107	303.36	3	↓ MOL2 SDF SMILES Flexibase

69145646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[[(3S)-1,1-dioxothian-…

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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)	0.24	2.5	-64.8	1	7	-1	107	303.36	3	↓ MOL2 SDF SMILES Flexibase

69145647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[[(3S)-1,1-dioxothian-3-yl]carbamoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[[(3S)-1,1-dioxothian-…

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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)	0.24	2.53	-64.02	1	7	-1	107	303.36	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 290407
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 = 290407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=290407&filter.purchasability=annotated

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', {
        "ring.id": "290407"        

    });
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