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ZINC Item

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61703942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]-N-methyl-furan-2-carboxamide N-[2-[(3S)-3-hydroxypyrrolidin-1…

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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)	-0.53	1.53	-18.73	1	6	0	74	252.27	3	↓ MOL2 SDF SMILES Flexibase

61703943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxo-ethyl]-N-methyl-furan-2-carboxamide N-[2-[(3R)-3-hydroxypyrrolidin-1…

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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)	-0.53	1.52	-18.8	1	6	0	74	252.27	3	↓ MOL2 SDF SMILES Flexibase

36974286

Analogs

42860106
42860108
5632983
5633055

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(furan-2-carbonylamino)acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-(furan-2-carbonylamino…

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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)	-2.08	3.33	-59.73	1	7	-1	103	265.245	4	↓ MOL2 SDF SMILES Flexibase

36974287

Analogs

42860106
42860108
5632983
5633055

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(furan-2-carbonylamino)acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-(furan-2-carbonylamino…

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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)	-2.08	3.43	-59.1	1	7	-1	103	265.245	4	↓ MOL2 SDF SMILES Flexibase

36976199

Analogs

166255

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Popular Name: (2R,4R)-1-[2-(furan-2-carbonylamino)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-(furan-2-carbonylam…

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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)	-3.00	0.11	-59.98	2	8	-1	123	281.244	4	↓ MOL2 SDF SMILES Flexibase

36976201

Analogs

166255

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-(furan-2-carbonylamino)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-(furan-2-carbonylam…

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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)	-3.00	0.11	-60.8	2	8	-1	123	281.244	4	↓ MOL2 SDF SMILES Flexibase

36976204

Analogs

166255

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-(furan-2-carbonylamino)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-[2-(furan-2-carbonylam…

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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)	-3.00	0.44	-60.39	2	8	-1	123	281.244	4	↓ MOL2 SDF SMILES Flexibase

36976206

Analogs

166255

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[2-(furan-2-carbonylamino)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-[2-(furan-2-carbonylam…

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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)	-3.00	0.44	-59.63	2	8	-1	123	281.244	4	↓ MOL2 SDF SMILES Flexibase

62913665

Analogs

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Popular Name: (3R)-1-[(2S)-2-(furan-2-carbonylamino)propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-2-(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)	0.06	4.04	-51.35	1	7	-1	103	293.299	4	↓ MOL2 SDF SMILES Flexibase

62913666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-2-(furan-2-carbonylamino)propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-2-(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)	0.06	3.95	-52.99	1	7	-1	103	293.299	4	↓ MOL2 SDF SMILES Flexibase

62913667

Analogs

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Popular Name: (3S)-1-[(2S)-2-(furan-2-carbonylamino)propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-2-(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)	0.06	4.04	-56.77	1	7	-1	103	293.299	4	↓ MOL2 SDF SMILES Flexibase

62913668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-2-(furan-2-carbonylamino)propanoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-2-(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)	0.06	4.16	-53.54	1	7	-1	103	293.299	4	↓ MOL2 SDF SMILES Flexibase

62913833

Analogs

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Popular Name: (3S)-1-[2-(furan-2-carbonylamino)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(furan-2-carbonylamino…

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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	3.4	-52.63	1	7	-1	103	279.272	4	↓ MOL2 SDF SMILES Flexibase

62913834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(furan-2-carbonylamino)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(furan-2-carbonylamino…

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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	3.48	-55.5	1	7	-1	103	279.272	4	↓ MOL2 SDF SMILES Flexibase

62913835

Analogs

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Popular Name: (3S)-1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[(5-bromofuran-2-carbo…

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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	4.13	-50.95	1	7	-1	103	358.168	4	↓ MOL2 SDF SMILES Flexibase

62913836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[(5-bromofuran-2-carbo…

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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	4.21	-53.76	1	7	-1	103	358.168	4	↓ MOL2 SDF SMILES Flexibase

62913953

Analogs

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Popular Name: (3S)-1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-[furan-2-carbonyl(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)	-0.02	5.84	-62.99	0	7	-1	94	293.299	4	↓ MOL2 SDF SMILES Flexibase

62913954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-[furan-2-carbonyl(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)	-0.02	5.92	-61.34	0	7	-1	94	293.299	4	↓ MOL2 SDF SMILES Flexibase

62915490

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(furan-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(furan-2-carbo…

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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)	0.07	4.07	-48.18	1	7	-1	103	293.299	5	↓ MOL2 SDF SMILES Flexibase

62915491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-(furan-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(furan-2-carbo…

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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)	0.07	3.98	-54.63	1	7	-1	103	293.299	5	↓ MOL2 SDF SMILES Flexibase

69739338

Analogs

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Popular Name: N-[(1S)-1-[(3R)-3-(dimethylaminomethyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[(3R)-3-(dimethylamino…

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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)	1.38	6.49	-46.99	2	6	1	67	322.429	6	↓ MOL2 SDF SMILES Flexibase

69739339

Analogs

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Popular Name: N-[(1R)-1-[(3R)-3-(dimethylaminomethyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(3R)-3-(dimethylamino…

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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)	1.38	6.54	-46.83	2	6	1	67	322.429	6	↓ MOL2 SDF SMILES Flexibase

69739340

Analogs

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Popular Name: N-[(1S)-1-[(3S)-3-(dimethylaminomethyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]furan-2-carboxamide N-[(1S)-1-[(3S)-3-(dimethylamino…

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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)	1.38	6.48	-46.92	2	6	1	67	322.429	6	↓ MOL2 SDF SMILES Flexibase

69739341

Analogs

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Popular Name: N-[(1R)-1-[(3S)-3-(dimethylaminomethyl)pyrrolidine-1-carbonyl]-2-methyl-propyl]furan-2-carboxamide N-[(1R)-1-[(3S)-3-(dimethylamino…

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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)	1.38	6.55	-47.12	2	6	1	67	322.429	6	↓ MOL2 SDF SMILES Flexibase

42144874

Analogs

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Popular Name: 2-[(2R)-1-[(2S)-2-(furan-2-carbonylamino)propanoyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(2S)-2-(furan-2-carbo…

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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)	-0.02	4.36	-52.93	1	7	-1	103	293.299	5	↓ MOL2 SDF SMILES Flexibase

42144875

Analogs

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Popular Name: 2-[(2R)-1-[(2R)-2-(furan-2-carbonylamino)propanoyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(2R)-2-(furan-2-carbo…

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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)	-0.02	4.27	-54.84	1	7	-1	103	293.299	5	↓ MOL2 SDF SMILES Flexibase

42144876

Analogs

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Popular Name: 2-[(2S)-1-[(2S)-2-(furan-2-carbonylamino)propanoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2S)-2-(furan-2-carbo…

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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)	-0.02	4.3	-54.58	1	7	-1	103	293.299	5	↓ MOL2 SDF SMILES Flexibase

42144877

Analogs

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Popular Name: 2-[(2S)-1-[(2R)-2-(furan-2-carbonylamino)propanoyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2R)-2-(furan-2-carbo…

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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)	-0.02	5.6	-64.34	1	7	-1	103	293.299	5	↓ MOL2 SDF SMILES Flexibase

42145043

Analogs

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Popular Name: 2-[(2R)-1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(furan-2-carbonylam…

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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)	-0.35	3.78	-54.65	1	7	-1	103	279.272	5	↓ MOL2 SDF SMILES Flexibase

42145044

Analogs

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Popular Name: 2-[(2S)-1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(furan-2-carbonylam…

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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)	-0.35	3.75	-54.47	1	7	-1	103	279.272	5	↓ MOL2 SDF SMILES Flexibase

42145045

Analogs

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Popular Name: 2-[(2R)-1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-[(5-bromofuran-2-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)	0.58	4.5	-53.18	1	7	-1	103	358.168	5	↓ MOL2 SDF SMILES Flexibase

42145046

Analogs

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Popular Name: 2-[(2S)-1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-[(5-bromofuran-2-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)	0.58	4.47	-52.99	1	7	-1	103	358.168	5	↓ MOL2 SDF SMILES Flexibase

42145161

Analogs

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Popular Name: 2-[(2R)-1-[2-[furan-2-carbonyl(methyl)amino]acetyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-[furan-2-carbonyl(m…

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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)	-0.11	6.18	-65.19	0	7	-1	94	293.299	5	↓ MOL2 SDF SMILES Flexibase

42145162

Analogs

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Popular Name: 2-[(2S)-1-[2-[furan-2-carbonyl(methyl)amino]acetyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-[furan-2-carbonyl(m…

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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)	-0.11	6.2	-63.66	0	7	-1	94	293.299	5	↓ MOL2 SDF SMILES Flexibase

42434258

Analogs

42434259

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Popular Name: N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]furan-2-carboxamide N-[2-[(2R)-2-(hydroxymethyl)pyrr…

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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)	-0.50	-0.01	-10.93	2	6	0	83	252.27	4	↓ MOL2 SDF SMILES Flexibase

42434259

Analogs

42434258

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]furan-2-carboxamide N-[2-[(2S)-2-(hydroxymethyl)pyrr…

Find On: PubMed — Wikipedia — Google

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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)	-0.50	-0.01	-10.9	2	6	0	83	252.27	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 8787
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 = 8787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8787&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": "8787"        

    });
</script>

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