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ZINC Item

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61703957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,5-dichloro-1-methyl-pyrrol-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (4,5-dichloro-1-methyl-pyrrol-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)	1.49	2.53	-7.41	1	4	0	45	263.124	1	↓ MOL2 SDF SMILES Flexibase

61703958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,5-dichloro-1-methyl-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (4,5-dichloro-1-methyl-pyrrol-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)	1.49	2.57	-8.35	1	4	0	45	263.124	1	↓ MOL2 SDF SMILES Flexibase

50245573

Analogs

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Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-isopropyl-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	1.25	5.01	-53.89	3	4	1	53	270.784	3	↓ MOL2 SDF SMILES Flexibase

50245574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-isopropyl-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	1.25	5.02	-53.99	3	4	1	53	270.784	3	↓ MOL2 SDF SMILES Flexibase

50245575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(1-isopropyl-4-nitro-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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	5.26	-56.51	3	7	1	99	281.336	4	↓ MOL2 SDF SMILES Flexibase

50245576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-isopropyl-4-nitro-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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	5.27	-56.49	3	7	1	99	281.336	4	↓ MOL2 SDF SMILES Flexibase

50245585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	0.28	3.88	-50.79	3	4	1	53	222.312	3	↓ MOL2 SDF SMILES Flexibase

50245586

Analogs

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Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	0.28	3.89	-50.72	3	4	1	53	222.312	3	↓ MOL2 SDF SMILES Flexibase

50245587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-propyl-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	1.39	5.14	-50.11	3	4	1	53	270.784	4	↓ MOL2 SDF SMILES Flexibase

50245588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-propyl-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	1.39	5.16	-50.23	3	4	1	53	270.784	4	↓ MOL2 SDF SMILES Flexibase

50245589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-ethyl-pyrrol-2-yl)methanone [(3R)-3-(aminomethyl)pyrrolidin-…

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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)	0.89	4.4	-50.49	3	4	1	53	256.757	3	↓ MOL2 SDF SMILES Flexibase

50245590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-ethyl-pyrrol-2-yl)methanone [(3S)-3-(aminomethyl)pyrrolidin-…

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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)	0.89	4.41	-50.43	3	4	1	53	256.757	3	↓ MOL2 SDF SMILES Flexibase

40332894

Analogs

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Popular Name: (2R)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-ethyl-pyrrole-…

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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)	-0.12	3.03	-18.03	3	6	0	80	264.329	3	↓ MOL2 SDF SMILES Flexibase

40332895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-ethyl-pyrrole-…

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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)	-0.12	3.2	-18.12	3	6	0	80	264.329	3	↓ MOL2 SDF SMILES Flexibase

36863577

Analogs

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Popular Name: (2R)-1-(4-amino-1-isopropyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-isopropyl-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)	0.05	4.88	-18.67	2	6	0	72	292.383	3	↓ MOL2 SDF SMILES Flexibase

36863578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1-isopropyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-isopropyl-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)	0.05	5.57	-18.92	2	6	0	72	292.383	3	↓ MOL2 SDF SMILES Flexibase

36863579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1H-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1H-pyrrole-2-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.76	1.91	-20.53	3	6	0	82	250.302	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.20	0.65	-58.58	3	6	1	81	251.31	2	↓ MOL2 SDF SMILES Flexibase

36863580

Analogs

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Popular Name: (2R)-1-(4-amino-1H-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1H-pyrrole-2-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.76	3.04	-22.18	3	6	0	82	250.302	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.20	0.7	-58.35	3	6	1	81	251.31	2	↓ MOL2 SDF SMILES Flexibase

36863581

Analogs

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Popular Name: (2R)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-ethyl-pyrrole-…

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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)	-0.32	4.76	-18.65	2	6	0	72	278.356	3	↓ MOL2 SDF SMILES Flexibase

36863582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1-ethyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-ethyl-pyrrole-…

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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)	-0.32	4.83	-18.73	2	6	0	72	278.356	3	↓ MOL2 SDF SMILES Flexibase

36863585

Analogs

42272276
42272279

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Popular Name: (2R)-1-(4-amino-1-methyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-methyl-pyrrole…

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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)	-0.69	3.43	-18.83	2	6	0	72	264.329	2	↓ MOL2 SDF SMILES Flexibase

36863586

Analogs

42272276
42272279

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1-methyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-methyl-pyrrole…

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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)	-0.69	4.12	-19.22	2	6	0	72	264.329	2	↓ MOL2 SDF SMILES Flexibase

36863587

Analogs

42272282
42272285

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-amino-1-propyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2R)-1-(4-amino-1-propyl-pyrrole…

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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	5.13	-18.37	2	6	0	72	292.383	4	↓ MOL2 SDF SMILES Flexibase

36863588

Analogs

42272282
42272285

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1-propyl-pyrrole-2-carbonyl)-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-(4-amino-1-propyl-pyrrole…

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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	5.76	-18.75	2	6	0	72	292.383	4	↓ MOL2 SDF SMILES Flexibase

36970731

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-(1-methyl-4-…

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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)	-3.52	-2.61	-67.14	3	9	-1	146	316.315	3	↓ MOL2 SDF SMILES Flexibase

36970733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-(1-methyl-4-…

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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)	-3.52	-2.61	-68.02	3	9	-1	146	316.315	3	↓ MOL2 SDF SMILES Flexibase

36970735

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-(1-methyl-4-…

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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)	-3.52	-2.12	-64.96	3	9	-1	146	316.315	3	↓ MOL2 SDF SMILES Flexibase

36970737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-hydroxy-1-(1-methyl-4-sulfamoyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-(1-methyl-4-…

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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)	-3.52	-2.12	-63.6	3	9	-1	146	316.315	3	↓ MOL2 SDF SMILES Flexibase

36974235

Analogs

44614437
44614440
20214650
20214654

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2R)-1-(4,5-dichloro-1-methyl-py…

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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	6.82	-54.85	0	5	-1	65	290.126	2	↓ MOL2 SDF SMILES Flexibase

36974237

Analogs

44614437
44614440
20214650
20214654

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic (2S)-1-(4,5-dichloro-1-methyl-py…

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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	6.92	-55.03	0	5	-1	65	290.126	2	↓ MOL2 SDF SMILES Flexibase

16582715

Analogs

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Popular Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] [2-oxo-2-[5-(pyrrolidine-1-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)	0.23	5.95	-22.49	1	7	0	89	294.307	7	↓ MOL2 SDF SMILES Flexibase

62912979

Analogs

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Popular Name: (3S)-1-(4-bromo-1-methyl-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-bromo-1-methyl-pyrrole…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	6.64	-50.08	0	5	-1	65	314.159	2	↓ MOL2 SDF SMILES Flexibase

62912980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-bromo-1-methyl-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-bromo-1-methyl-pyrrole…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.33	6.75	-53.37	0	5	-1	65	314.159	2	↓ MOL2 SDF SMILES Flexibase

62912983

Analogs

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Popular Name: (3S)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4,5-dichloro-1H-pyrrole-…

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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)	1.93	5.76	-47.53	1	5	-1	76	290.126	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	5.61	-86.92	0	5	-2	75	289.118	2	↓ MOL2 SDF SMILES Flexibase

62912984

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Popular Name: (3R)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4,5-dichloro-1H-pyrrole-…

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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)	1.93	5.9	-51.31	1	5	-1	76	290.126	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	5.74	-93.3	0	5	-2	75	289.118	2	↓ MOL2 SDF SMILES Flexibase

62912985

Analogs

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

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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	6.01	-52.76	0	5	-1	65	235.263	2	↓ MOL2 SDF SMILES Flexibase

62912986

Analogs

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

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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	6.12	-56.34	0	5	-1	65	235.263	2	↓ MOL2 SDF SMILES Flexibase

62912987

Analogs

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Popular Name: (3S)-3-methyl-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-nitro-1H-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)	0.41	5.46	-85.98	0	8	-2	120	265.225	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.41	5.63	-41.97	1	8	-1	122	266.233	3	↓ MOL2 SDF SMILES Flexibase

62912988

Analogs

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Popular Name: (3R)-3-methyl-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-nitro-1H-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)	0.41	5.59	-92.59	0	8	-2	120	265.225	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.41	5.74	-47.61	1	8	-1	122	266.233	3	↓ MOL2 SDF SMILES Flexibase

62912989

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Popular Name: (3S)-3-methyl-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1-methyl-4-nitr…

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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)	0.48	6.77	-50.82	0	8	-1	111	280.26	3	↓ MOL2 SDF SMILES Flexibase

62912990

Analogs

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Popular Name: (3R)-3-methyl-1-(1-methyl-4-nitro-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1-methyl-4-nitr…

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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)	0.48	6.89	-53.41	0	8	-1	111	280.26	3	↓ MOL2 SDF SMILES Flexibase

62912993

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Popular Name: (3S)-3-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(1H-pyrrole-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)	0.52	4.88	-53.86	1	5	-1	76	221.236	2	↓ MOL2 SDF SMILES Flexibase

62912994

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Popular Name: (3R)-3-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(1H-pyrrole-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)	0.52	5	-58.13	1	5	-1	76	221.236	2	↓ MOL2 SDF SMILES Flexibase

62912995

Analogs

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Popular Name: (3S)-1-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-bromo-1H-pyrrole-2-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	5.5	-52.38	1	5	-1	76	300.132	2	↓ MOL2 SDF SMILES Flexibase

62912996

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Popular Name: (3R)-1-(4-bromo-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-bromo-1H-pyrrole-2-car…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	5.62	-56.46	1	5	-1	76	300.132	2	↓ MOL2 SDF SMILES Flexibase

62912997

Analogs

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Popular Name: (3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-1H-pyrrole-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)	1.13	5.4	-52.44	1	5	-1	76	255.681	2	↓ MOL2 SDF SMILES Flexibase

62912998

Analogs

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Popular Name: (3R)-1-(4-chloro-1H-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(4-chloro-1H-pyrrole-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)	1.13	5.52	-56.48	1	5	-1	76	255.681	2	↓ MOL2 SDF SMILES Flexibase

62912999

Analogs

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

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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)	0.67	7.49	-50.02	0	8	-1	111	280.26	3	↓ MOL2 SDF SMILES Flexibase

62913000

Analogs

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

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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)	0.67	7.6	-53.79	0	8	-1	111	280.26	3	↓ MOL2 SDF SMILES Flexibase

62913001

Analogs

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Popular Name: (3S)-1-(4-chloro-1-methyl-pyrrole-2-carbonyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(4-chloro-1-methyl-pyrrol…

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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)	1.20	6.54	-50.16	0	5	-1	65	269.708	2	↓ 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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