ZINC 12

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)	0.09	3.38	-21.08	1	6	0	72	238.243	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	0.63	-58.77	0	6	-1	78	237.235	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	2.45	-61.26	0	6	-1	78	237.235	3	↓ MOL2 SDF SMILES Flexibase

53496440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(furan-2-carbonyl)-N-methoxy-pyrrolidine-2-carboxamide (2R)-1-(furan-2-carbonyl)-N-meth…

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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)	0.09	3.4	-21.16	1	6	0	72	238.243	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	0.59	-58.25	0	6	-1	78	237.235	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	1.73	-62.15	0	6	-1	78	237.235	3	↓ MOL2 SDF SMILES Flexibase

36974029

Analogs

44616472
44616475
216853

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[5-(difluoromethylsulfany…

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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)	0.10	7.49	-59.47	0	5	-1	74	304.294	5	↓ MOL2 SDF SMILES Flexibase

36974031

Analogs

44616472
44616475

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[5-(difluoromethylsulfany…

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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)	0.10	7.84	-59.55	0	5	-1	74	304.294	5	↓ MOL2 SDF SMILES Flexibase

36974037

Analogs

44616328
44616331

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[5-(methylsulfanylmethyl)…

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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	7.11	-59.91	0	5	-1	74	268.314	4	↓ MOL2 SDF SMILES Flexibase

36974039

Analogs

44616328
44616331
20250604
2487495

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[5-(methylsulfanylmethyl)…

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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	7.46	-61.01	0	5	-1	74	268.314	4	↓ MOL2 SDF SMILES Flexibase

36974136

Analogs

44615290
44615293

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2R)-1-[5-(dimethylsulfamoyl)fur…

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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)	-1.59	3.1	-61.91	0	8	-1	111	315.327	4	↓ MOL2 SDF SMILES Flexibase

36974138

Analogs

44615290
44615293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2S)-1-[5-(dimethylsulfamoyl)fur…

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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)	-1.59	3.45	-59	0	8	-1	111	315.327	4	↓ MOL2 SDF SMILES Flexibase

36974253

Analogs

44614322
44614325
46435701
2487495

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Popular Name: (2R)-1-(5-ethylfuran-2-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(5-ethylfuran-2-carbonyl)…

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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)	-0.39	6.67	-60.1	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

36974255

Analogs

44614322
44614325
46435701
2487495

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(5-ethylfuran-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(5-ethylfuran-2-carbonyl)…

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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)	-0.39	7.02	-59.97	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

36975838

Analogs

20250604

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-hydroxy-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[5-(methylsu…

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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)	-1.37	3.72	-60.13	1	6	-1	94	284.313	4	↓ MOL2 SDF SMILES Flexibase

36975840

Analogs

20250604

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[5-(methylsu…

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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)	-1.37	3.72	-61.42	1	6	-1	94	284.313	4	↓ MOL2 SDF SMILES Flexibase

36975842

Analogs

20250604

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[5-(methylsu…

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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)	-1.37	4.07	-62.43	1	6	-1	94	284.313	4	↓ MOL2 SDF SMILES Flexibase

36975844

Analogs

20250604

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[5-(methylsu…

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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)	-1.37	4.07	-61.62	1	6	-1	94	284.313	4	↓ MOL2 SDF SMILES Flexibase

58521152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonitrile (2R)-1-(furan-2-carbonyl)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)	0.81	4.38	-13.96	0	4	0	57	190.202	1	↓ MOL2 SDF SMILES Flexibase

58521154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonitrile (2S)-1-(furan-2-carbonyl)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)	0.81	4.4	-13.95	0	4	0	57	190.202	1	↓ MOL2 SDF SMILES Flexibase

62912565

Analogs

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Popular Name: (3S)-1-(5-bromofuran-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-bromofuran-2-carbonyl)…

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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)	1.56	5.71	-46.99	0	5	-1	74	301.116	2	↓ MOL2 SDF SMILES Flexibase

62912566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-bromofuran-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(5-bromofuran-2-carbonyl)…

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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)	1.56	5.81	-50.8	0	5	-1	74	301.116	2	↓ MOL2 SDF SMILES Flexibase

62912571

Analogs

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Popular Name: (3S)-3-methyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(5-nitrofuran-2-…

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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)	0.71	5.67	-46.98	0	8	-1	119	267.217	3	↓ MOL2 SDF SMILES Flexibase

62912572

Analogs

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Popular Name: (3R)-3-methyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(5-nitrofuran-2-…

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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)	0.71	5.76	-50.22	0	8	-1	119	267.217	3	↓ MOL2 SDF SMILES Flexibase

62912635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(furan-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(furan-2-carbonyl)-3-meth…

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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)	0.62	4.99	-51.14	0	5	-1	74	222.22	2	↓ MOL2 SDF SMILES Flexibase

62912636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(furan-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(furan-2-carbonyl)-3-meth…

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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)	0.62	5.08	-55.26	0	5	-1	74	222.22	2	↓ MOL2 SDF SMILES Flexibase

62912723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(3-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-methylfuran-2…

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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)	1.00	5.66	-51.36	0	5	-1	74	236.247	2	↓ MOL2 SDF SMILES Flexibase

62912724

Analogs

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Popular Name: (3S)-3-methyl-1-(3-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-methylfuran-2…

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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)	1.00	5.73	-54.8	0	5	-1	74	236.247	2	↓ MOL2 SDF SMILES Flexibase

62913019

Analogs

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Popular Name: (3R)-3-methyl-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(5-methylfuran-2…

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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)	0.85	5.81	-50.82	0	5	-1	74	236.247	2	↓ MOL2 SDF SMILES Flexibase

62913020

Analogs

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Popular Name: (3S)-3-methyl-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(5-methylfuran-2…

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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)	0.85	5.88	-54.23	0	5	-1	74	236.247	2	↓ MOL2 SDF SMILES Flexibase

62913069

Analogs

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Popular Name: (3S)-1-(5-chlorofuran-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-chlorofuran-2-carbonyl…

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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)	1.43	5.59	-46.95	0	5	-1	74	256.665	2	↓ MOL2 SDF SMILES Flexibase

62913070

Analogs

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Popular Name: (3R)-1-(5-chlorofuran-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(5-chlorofuran-2-carbonyl…

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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)	1.43	5.69	-50.75	0	5	-1	74	256.665	2	↓ MOL2 SDF SMILES Flexibase

62913351

Analogs

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Popular Name: (3S)-3-methyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[5-(methylsulfan…

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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)	1.36	7.03	-50.38	0	5	-1	74	282.341	4	↓ MOL2 SDF SMILES Flexibase

62913352

Analogs

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Popular Name: (3R)-3-methyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[5-(methylsulfan…

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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)	1.36	7.13	-55.82	0	5	-1	74	282.341	4	↓ MOL2 SDF SMILES Flexibase

62913399

Analogs

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Popular Name: (3S)-1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[5-(difluoromethylsulfany…

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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)	1.92	7.41	-50.28	0	5	-1	74	318.321	5	↓ MOL2 SDF SMILES Flexibase

62913400

Analogs

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Popular Name: (3R)-1-[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[5-(difluoromethylsulfany…

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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)	1.92	7.51	-54.7	0	5	-1	74	318.321	5	↓ MOL2 SDF SMILES Flexibase

62913927

Analogs

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Popular Name: (3R)-1-(5-ethylfuran-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(5-ethylfuran-2-carbonyl)…

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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)	1.42	6.59	-50.34	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62913928

Analogs

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Popular Name: (3S)-1-(5-ethylfuran-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(5-ethylfuran-2-carbonyl)…

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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)	1.42	6.66	-53.67	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914194

Analogs

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Popular Name: (3S)-1-(5-bromofuran-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(5-bromofuran-2-carbonyl)…

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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)	1.89	6.25	-43.66	0	5	-1	74	315.143	3	↓ MOL2 SDF SMILES Flexibase

62914195

Analogs

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Popular Name: (3R)-1-(5-bromofuran-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(5-bromofuran-2-carbonyl)…

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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)	1.89	6.29	-50.26	0	5	-1	74	315.143	3	↓ MOL2 SDF SMILES Flexibase

62914200

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(5-nitrofuran-2-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)	1.04	6.22	-44.8	0	8	-1	119	281.244	4	↓ MOL2 SDF SMILES Flexibase

62914201

Analogs

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Popular Name: (3R)-3-ethyl-1-(5-nitrofuran-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(5-nitrofuran-2-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)	1.04	6.25	-49.6	0	8	-1	119	281.244	4	↓ MOL2 SDF SMILES Flexibase

62914256

Analogs

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Popular Name: (3S)-3-ethyl-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(furan-2-carbonyl…

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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)	0.96	5.54	-47.1	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62914257

Analogs

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Popular Name: (3R)-3-ethyl-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(furan-2-carbonyl…

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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)	0.96	5.57	-54.75	0	5	-1	74	236.247	3	↓ MOL2 SDF SMILES Flexibase

62914330

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-methylfuran-2-…

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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)	1.34	6.21	-47.3	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914331

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-methylfuran-2-…

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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)	1.34	6.24	-54.72	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914580

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(5-methylfuran-2-…

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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)	1.18	6.36	-46.76	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914581

Analogs

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Popular Name: (3R)-3-ethyl-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(5-methylfuran-2-…

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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)	1.18	6.39	-54.32	0	5	-1	74	250.274	3	↓ MOL2 SDF SMILES Flexibase

62914630

Analogs

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Popular Name: (3S)-1-(5-chlorofuran-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-(5-chlorofuran-2-carbonyl…

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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)	1.76	6.14	-43.66	0	5	-1	74	270.692	3	↓ MOL2 SDF SMILES Flexibase

62914631

Analogs

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Popular Name: (3R)-1-(5-chlorofuran-2-carbonyl)-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-(5-chlorofuran-2-carbonyl…

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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)	1.76	6.17	-50.25	0	5	-1	74	270.692	3	↓ MOL2 SDF SMILES Flexibase

62914808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[5-(methylsulfany…

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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)	1.69	7.58	-46.85	0	5	-1	74	296.368	5	↓ MOL2 SDF SMILES Flexibase

62914809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[5-(methylsulfanylmethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[5-(methylsulfany…

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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)	1.69	7.61	-55.31	0	5	-1	74	296.368	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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