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ZINC Item

Suppliers, Protomers, & Similar Substances

50245571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone 1-[(3R)-3-(aminomethyl)pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.51	3.08	-61.59	3	5	1	66	237.327	3	↓ MOL2 SDF SMILES Flexibase

50245572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone 1-[(3S)-3-(aminomethyl)pyrrolidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.51	3.08	-61.08	3	5	1	66	237.327	3	↓ MOL2 SDF SMILES Flexibase

50245684

Analogs

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Popular Name: (2S)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-yl-propan-1-one (2S)-1-[(3R)-3-(aminomethyl)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)	-0.59	2.27	-53.98	3	5	1	66	223.3	3	↓ MOL2 SDF SMILES Flexibase

50245685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-yl-propan-1-one (2R)-1-[(3R)-3-(aminomethyl)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)	-0.59	2.28	-53.47	3	5	1	66	223.3	3	↓ MOL2 SDF SMILES Flexibase

50245686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-yl-propan-1-one (2S)-1-[(3S)-3-(aminomethyl)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)	-0.59	2.25	-53.5	3	5	1	66	223.3	3	↓ MOL2 SDF SMILES Flexibase

50245687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-yl-propan-1-one (2R)-1-[(3S)-3-(aminomethyl)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)	-0.59	2.29	-54.06	3	5	1	66	223.3	3	↓ MOL2 SDF SMILES Flexibase

12014469

Analogs

12014451

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,3,5-tetramethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrazole-4-carboxamide N,N,3,5-tetramethyl-1-(2-oxo-2-p…

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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)	-0.52	0.35	-16.72	0	6	0	58	278.356	3	↓ MOL2 SDF SMILES Flexibase

36867997

Analogs

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Popular Name: 3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(2-oxo-2-pyrrolid…

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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)	0.30	4.87	-18.64	0	5	0	55	235.287	3	↓ MOL2 SDF SMILES Flexibase

36868146

Analogs

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Popular Name: 2-[4-(hydroxymethyl)-3,5-dimethyl-pyrazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[4-(hydroxymethyl)-3,5-dimethy…

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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)	-0.15	2.32	-18.07	1	5	0	58	237.303	3	↓ MOL2 SDF SMILES Flexibase

36868342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[4-(aminomethyl)-3,5-dimethyl-…

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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)	-0.30	3.04	-49.92	3	5	1	66	237.327	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.30	2.63	-15.01	2	5	0	64	236.319	3	↓ MOL2 SDF SMILES Flexibase

36868471

Analogs

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Popular Name: 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[3,5-dimethyl-4-(methylaminome…

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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	4.91	-44.8	2	5	1	55	251.354	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.07	3.46	-14.29	1	5	0	50	250.346	4	↓ MOL2 SDF SMILES Flexibase

36868583

Analogs

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Popular Name: 2-[4-(ethylaminomethyl)-3,5-dimethyl-pyrazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[4-(ethylaminomethyl)-3,5-dime…

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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	5.81	-44.3	2	5	1	55	265.381	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.45	4.45	-13.88	1	5	0	50	264.373	5	↓ MOL2 SDF SMILES Flexibase

36868678

Analogs

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Popular Name: 2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[3,5-dimethyl-4-(propylaminome…

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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)	0.95	6.57	-44.92	2	5	1	55	279.408	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.95	5.21	-13.74	1	5	0	50	278.4	6	↓ MOL2 SDF SMILES Flexibase

36868769

Analogs

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Popular Name: 2-[4-[(isopropylamino)methyl]-3,5-dimethyl-pyrazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[4-[(isopropylamino)methyl]-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)	0.74	6.29	-42.46	2	5	1	55	279.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.74	5.09	-13.93	1	5	0	50	278.4	5	↓ MOL2 SDF SMILES Flexibase

36868982

Analogs

44617164
44617167

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic (2R)-1-[2-(3,5-dimethylpyrazol-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)	-1.64	5.96	-69.45	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

36868983

Analogs

44617164
44617167

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic (2S)-1-[2-(3,5-dimethylpyrazol-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)	-1.64	6.05	-63.54	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

36868995

Analogs

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Popular Name: (2R,4R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-(3,5-dimethylpyrazo…

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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)	-2.56	2.74	-70.02	1	7	-1	98	266.277	3	↓ MOL2 SDF SMILES Flexibase

36868996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-(3,5-dimethylpyrazo…

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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)	-2.56	2.74	-70.53	1	7	-1	98	266.277	3	↓ MOL2 SDF SMILES Flexibase

36868997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-[2-(3,5-dimethylpyrazo…

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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)	-2.56	3.09	-65.58	1	7	-1	98	266.277	3	↓ MOL2 SDF SMILES Flexibase

36868998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-[2-(3,5-dimethylpyrazo…

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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)	-2.56	3.09	-63.9	1	7	-1	98	266.277	3	↓ MOL2 SDF SMILES Flexibase

36869020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-(3,5-dimethylpyrazo…

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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)	-1.94	5.1	-68.17	0	7	-1	87	280.304	4	↓ MOL2 SDF SMILES Flexibase

36869021

Analogs

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Popular Name: (2R,4S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-(3,5-dimethylpyrazo…

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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)	-1.94	5.1	-68.27	0	7	-1	87	280.304	4	↓ MOL2 SDF SMILES Flexibase

36869022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4R)-1-[2-(3,5-dimethylpyrazo…

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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)	-1.94	5.51	-59.81	0	7	-1	87	280.304	4	↓ MOL2 SDF SMILES Flexibase

36869023

Analogs

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Popular Name: (2S,4S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methoxy-pyrrolidine-2-carboxylic (2S,4S)-1-[2-(3,5-dimethylpyrazo…

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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)	-1.94	5.45	-61.98	0	7	-1	87	280.304	4	↓ MOL2 SDF SMILES Flexibase

62913043

Analogs

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Popular Name: (3R)-3-methyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2S)-2-pyrazol-…

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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	5.25	-53.34	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

62913044

Analogs

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Popular Name: (3R)-3-methyl-1-[(2R)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2R)-2-pyrazol-…

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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	5.2	-57.01	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

62913045

Analogs

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Popular Name: (3S)-3-methyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2S)-2-pyrazol-…

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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	5.27	-61.54	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

62913046

Analogs

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Popular Name: (3S)-3-methyl-1-[(2R)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2R)-2-pyrazol-…

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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	5.36	-54.55	0	6	-1	78	250.278	3	↓ MOL2 SDF SMILES Flexibase

62913071

Analogs

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Popular Name: (3S)-3-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(2-pyrazol-1-yla…

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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	5.01	-61.07	0	6	-1	78	236.251	3	↓ MOL2 SDF SMILES Flexibase

62913072

Analogs

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Popular Name: (3R)-3-methyl-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(2-pyrazol-1-yla…

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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	5.09	-61.54	0	6	-1	78	236.251	3	↓ MOL2 SDF SMILES Flexibase

62913257

Analogs

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Popular Name: (3S)-3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-[3-(trifluoro…

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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)	0.86	5.96	-63.58	0	6	-1	78	304.248	4	↓ MOL2 SDF SMILES Flexibase

62913258

Analogs

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Popular Name: (3R)-3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-[3-(trifluoro…

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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)	0.86	6.04	-63.02	0	6	-1	78	304.248	4	↓ MOL2 SDF SMILES Flexibase

62913307

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Popular Name: (3S)-3-methyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(4-nitropyraz…

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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)	-0.38	5.76	-61.63	0	9	-1	124	281.248	4	↓ MOL2 SDF SMILES Flexibase

62913308

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Popular Name: (3R)-3-methyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(4-nitropyraz…

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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)	-0.38	5.84	-62.11	0	9	-1	124	281.248	4	↓ MOL2 SDF SMILES Flexibase

62914037

Analogs

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Popular Name: (3R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[2-(3,5-dimethylpyrazol-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)	0.17	6.04	-56.85	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62914038

Analogs

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Popular Name: (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[2-(3,5-dimethylpyrazol-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)	0.17	6.11	-63.36	0	6	-1	78	264.305	3	↓ MOL2 SDF SMILES Flexibase

62914079

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(3-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(3-nitropyraz…

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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)	-0.19	6.72	-69.63	0	9	-1	124	281.248	4	↓ MOL2 SDF SMILES Flexibase

62914080

Analogs

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Popular Name: (3R)-3-methyl-1-[2-(3-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(3-nitropyraz…

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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)	-0.19	6.81	-67.67	0	9	-1	124	281.248	4	↓ MOL2 SDF SMILES Flexibase

62914604

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2R)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-2-pyrazol-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)	0.43	5.84	-48.87	0	6	-1	78	264.305	4	↓ MOL2 SDF SMILES Flexibase

62914605

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Popular Name: (3R)-3-ethyl-1-[(2R)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-2-pyrazol-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)	0.43	5.77	-60.72	0	6	-1	78	264.305	4	↓ MOL2 SDF SMILES Flexibase

62914606

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Popular Name: (3S)-3-ethyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-2-pyrazol-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)	0.43	5.95	-44.08	0	6	-1	78	264.305	4	↓ MOL2 SDF SMILES Flexibase

62914607

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Popular Name: (3R)-3-ethyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-2-pyrazol-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)	0.43	5.88	-52.55	0	6	-1	78	264.305	4	↓ MOL2 SDF SMILES Flexibase

62914632

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Popular Name: (3S)-3-ethyl-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-pyrazol-1-ylac…

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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	5.66	-54.98	0	6	-1	78	250.278	4	↓ MOL2 SDF SMILES Flexibase

62914633

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Popular Name: (3R)-3-ethyl-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-pyrazol-1-ylac…

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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	5.58	-60.77	0	6	-1	78	250.278	4	↓ MOL2 SDF SMILES Flexibase

62914762

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Popular Name: (3S)-3-ethyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(4-nitropyrazo…

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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)	-0.05	6.42	-55.31	0	9	-1	124	295.275	5	↓ MOL2 SDF SMILES Flexibase

62914763

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(4-nitropyrazo…

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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)	-0.05	6.33	-61.22	0	9	-1	124	295.275	5	↓ MOL2 SDF SMILES Flexibase

62916388

Analogs

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Popular Name: (3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[2-(3,5-dimethylpyrazol-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)	0.51	6.69	-51	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

62916392

Analogs

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Popular Name: (3R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[2-(3,5-dimethylpyrazol-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)	0.51	6.6	-62.54	0	6	-1	78	278.332	4	↓ MOL2 SDF SMILES Flexibase

62916633

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(3-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(3-nitropyrazo…

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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)	0.15	7.38	-62.67	0	9	-1	124	295.275	5	↓ MOL2 SDF SMILES Flexibase

62916636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-(3-nitropyrazol-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(3-nitropyrazo…

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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)	0.15	7.3	-66.88	0	9	-1	124	295.275	5	↓ 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

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