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ZINC Item

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62922269

Analogs

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Popular Name: (3S)-3-methyl-1-(thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(thiazol-2-ylcar…

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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	4.94	-57.65	1	6	-1	85	254.291	2	↓ MOL2 SDF SMILES Flexibase

62922272

Analogs

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Popular Name: (3R)-3-methyl-1-(thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(thiazol-2-ylcar…

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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	5.06	-61.92	1	6	-1	85	254.291	2	↓ MOL2 SDF SMILES Flexibase

62922279

Analogs

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Popular Name: (3S)-3-ethyl-1-(thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(thiazol-2-ylcarb…

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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)	1.07	5.52	-51.9	1	6	-1	85	268.318	3	↓ MOL2 SDF SMILES Flexibase

62922281

Analogs

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Popular Name: (3R)-3-ethyl-1-(thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(thiazol-2-ylcarb…

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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)	1.07	5.55	-61.36	1	6	-1	85	268.318	3	↓ MOL2 SDF SMILES Flexibase

62922282

Analogs

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Popular Name: (3S)-3-propyl-1-(thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(thiazol-2-ylcar…

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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)	1.63	6.28	-52.28	1	6	-1	85	282.345	4	↓ MOL2 SDF SMILES Flexibase

62922284

Analogs

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Popular Name: (3R)-3-propyl-1-(thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(thiazol-2-ylcar…

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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)	1.63	6.32	-61.74	1	6	-1	85	282.345	4	↓ MOL2 SDF SMILES Flexibase

62924227

Analogs

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Popular Name: (3R)-3-methyl-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(5-methylthiazo…

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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	5.77	-58.07	1	6	-1	85	268.318	2	↓ MOL2 SDF SMILES Flexibase

62924228

Analogs

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Popular Name: (3S)-3-methyl-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(5-methylthiazo…

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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	5.86	-61.39	1	6	-1	85	268.318	2	↓ MOL2 SDF SMILES Flexibase

62924229

Analogs

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Popular Name: (3S)-3-ethyl-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(5-methylthiazol…

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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)	1.29	6.35	-51.97	1	6	-1	85	282.345	3	↓ MOL2 SDF SMILES Flexibase

62924230

Analogs

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Popular Name: (3R)-3-ethyl-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(5-methylthiazol…

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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)	1.29	6.38	-61.53	1	6	-1	85	282.345	3	↓ MOL2 SDF SMILES Flexibase

62924231

Analogs

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Popular Name: (3S)-1-[(5-methylthiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-methylthiazol-2-yl)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)	1.85	7.1	-52.4	1	6	-1	85	296.372	4	↓ MOL2 SDF SMILES Flexibase

62924232

Analogs

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Popular Name: (3R)-1-[(5-methylthiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-methylthiazol-2-yl)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)	1.85	7.14	-61.96	1	6	-1	85	296.372	4	↓ MOL2 SDF SMILES Flexibase

62924633

Analogs

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Popular Name: (3R)-3-methyl-1-[(4-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(4-methylthiazo…

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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	5.21	-49.46	1	6	-1	85	268.318	2	↓ MOL2 SDF SMILES Flexibase

62924634

Analogs

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Popular Name: (3S)-3-methyl-1-[(4-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(4-methylthiazo…

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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	5.3	-52.66	1	6	-1	85	268.318	2	↓ MOL2 SDF SMILES Flexibase

62924636

Analogs

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Popular Name: (3S)-3-ethyl-1-[(4-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(4-methylthiazol…

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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)	1.29	5.79	-44.85	1	6	-1	85	282.345	3	↓ MOL2 SDF SMILES Flexibase

62924637

Analogs

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Popular Name: (3R)-3-ethyl-1-[(4-methylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(4-methylthiazol…

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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)	1.29	5.82	-52.61	1	6	-1	85	282.345	3	↓ MOL2 SDF SMILES Flexibase

62924640

Analogs

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Popular Name: (3S)-1-[(4-methylthiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(4-methylthiazol-2-yl)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)	1.85	6.54	-45.2	1	6	-1	85	296.372	4	↓ MOL2 SDF SMILES Flexibase

62924641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(4-methylthiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(4-methylthiazol-2-yl)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)	1.85	6.58	-52.9	1	6	-1	85	296.372	4	↓ MOL2 SDF SMILES Flexibase

62925684

Analogs

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Popular Name: (3S)-1-[(5-bromothiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(5-bromothiazol-2-yl)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)	1.67	5.67	-54.29	1	6	-1	85	333.187	2	↓ MOL2 SDF SMILES Flexibase

62925685

Analogs

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Popular Name: (3R)-1-[(5-bromothiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(5-bromothiazol-2-yl)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)	1.67	5.79	-58.31	1	6	-1	85	333.187	2	↓ MOL2 SDF SMILES Flexibase

62925686

Analogs

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Popular Name: (3S)-1-[(5-bromothiazol-2-yl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(5-bromothiazol-2-yl)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)	2.00	6.25	-48.54	1	6	-1	85	347.214	3	↓ MOL2 SDF SMILES Flexibase

62925687

Analogs

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Popular Name: (3R)-1-[(5-bromothiazol-2-yl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(5-bromothiazol-2-yl)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)	2.00	6.28	-57.69	1	6	-1	85	347.214	3	↓ MOL2 SDF SMILES Flexibase

62925688

Analogs

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Popular Name: (3S)-1-[(5-bromothiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(5-bromothiazol-2-yl)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)	2.56	7	-48.88	1	6	-1	85	361.241	4	↓ MOL2 SDF SMILES Flexibase

62925689

Analogs

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Popular Name: (3R)-1-[(5-bromothiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(5-bromothiazol-2-yl)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)	2.56	7.05	-58.06	1	6	-1	85	361.241	4	↓ MOL2 SDF SMILES Flexibase

62932973

Analogs

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Popular Name: (3R)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(4,5-dimethylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.18	6.27	-58.67	1	6	-1	85	282.345	2	↓ MOL2 SDF SMILES Flexibase

62932974

Analogs

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Popular Name: (3S)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(4,5-dimethylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.18	6.37	-62.14	1	6	-1	85	282.345	2	↓ MOL2 SDF SMILES Flexibase

62932977

Analogs

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Popular Name: (3S)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3S)-1-[(4,5-dimethylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.51	6.85	-52.69	1	6	-1	85	296.372	3	↓ MOL2 SDF SMILES Flexibase

62932978

Analogs

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Popular Name: (3R)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-3-ethyl-pyrrolidine-3-carboxylic (3R)-1-[(4,5-dimethylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.51	6.88	-62.28	1	6	-1	85	296.372	3	↓ MOL2 SDF SMILES Flexibase

62932981

Analogs

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Popular Name: (3S)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[(4,5-dimethylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	7.61	-53.01	1	6	-1	85	310.399	4	↓ MOL2 SDF SMILES Flexibase

62932982

Analogs

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Popular Name: (3R)-1-[(4,5-dimethylthiazol-2-yl)carbamoyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[(4,5-dimethylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	7.65	-62.7	1	6	-1	85	310.399	4	↓ MOL2 SDF SMILES Flexibase

62933183

Analogs

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Popular Name: (3R)-1-[(4-ethyl-5-methyl-thiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(4-ethyl-5-methyl-thiazo…

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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)	1.75	6.68	-50.34	1	6	-1	85	296.372	3	↓ MOL2 SDF SMILES Flexibase

62933184

Analogs

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Popular Name: (3S)-1-[(4-ethyl-5-methyl-thiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(4-ethyl-5-methyl-thiazo…

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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)	1.75	6.78	-53.72	1	6	-1	85	296.372	3	↓ MOL2 SDF SMILES Flexibase

62933187

Analogs

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Popular Name: (3R)-3-ethyl-1-[(4-ethyl-5-methyl-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(4-ethyl-5-methy…

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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)	2.09	7.22	-50.4	1	6	-1	85	310.399	4	↓ MOL2 SDF SMILES Flexibase

62933188

Analogs

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Popular Name: (3S)-3-ethyl-1-[(4-ethyl-5-methyl-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(4-ethyl-5-methy…

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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)	2.09	7.27	-49.36	1	6	-1	85	310.399	4	↓ MOL2 SDF SMILES Flexibase

62933321

Analogs

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Popular Name: (3R)-1-[(4-isopropylthiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(4-isopropylthiazol-2-yl…

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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)	2.02	6.48	-49.19	1	6	-1	85	296.372	3	↓ MOL2 SDF SMILES Flexibase

62933322

Analogs

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Popular Name: (3S)-1-[(4-isopropylthiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(4-isopropylthiazol-2-yl…

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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)	2.02	6.56	-52.47	1	6	-1	85	296.372	3	↓ MOL2 SDF SMILES Flexibase

62933323

Analogs

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Popular Name: (3S)-3-ethyl-1-[(4-isopropylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(4-isopropylthia…

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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)	2.35	7.06	-44.62	1	6	-1	85	310.399	4	↓ MOL2 SDF SMILES Flexibase

62933324

Analogs

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Popular Name: (3R)-3-ethyl-1-[(4-isopropylthiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(4-isopropylthia…

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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)	2.35	7.09	-52.35	1	6	-1	85	310.399	4	↓ MOL2 SDF SMILES Flexibase

62933395

Analogs

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Popular Name: (3S)-1-[(4-tert-butylthiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(4-tert-butylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	7.23	-49.01	1	6	-1	85	310.399	3	↓ MOL2 SDF SMILES Flexibase

62933396

Analogs

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Popular Name: (3R)-1-[(4-tert-butylthiazol-2-yl)carbamoyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(4-tert-butylthiazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	7.36	-52.87	1	6	-1	85	310.399	3	↓ MOL2 SDF SMILES Flexibase

40550173

Analogs

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Popular Name: (2R)-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2R)-1-[(5-methylthiazol-2-yl)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)	-0.85	5.73	-68.34	1	6	-1	85	254.291	2	↓ MOL2 SDF SMILES Flexibase

40550174

Analogs

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Popular Name: (2S)-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2S)-1-[(5-methylthiazol-2-yl)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)	-0.85	6.02	-67.98	1	6	-1	85	254.291	2	↓ MOL2 SDF SMILES Flexibase

40550178

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-[(5-methylth…

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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)	-1.77	2.34	-68.9	2	7	-1	106	270.29	2	↓ MOL2 SDF SMILES Flexibase

40550179

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-[(5-methylth…

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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)	-1.77	2.34	-70.45	2	7	-1	106	270.29	2	↓ MOL2 SDF SMILES Flexibase

40550180

Analogs

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Popular Name: (2S,4R)-4-hydroxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2S,4R)-4-hydroxy-1-[(5-methylth…

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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)	-1.77	2.64	-70.07	2	7	-1	106	270.29	2	↓ MOL2 SDF SMILES Flexibase

40550181

Analogs

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Popular Name: (2S,4S)-4-hydroxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2S,4S)-4-hydroxy-1-[(5-methylth…

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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)	-1.77	2.64	-68.58	2	7	-1	106	270.29	2	↓ MOL2 SDF SMILES Flexibase

40550234

Analogs

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Popular Name: (2R,4R)-4-methoxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-[(5-methylth…

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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)	-1.15	4.7	-67.13	1	7	-1	95	284.317	3	↓ MOL2 SDF SMILES Flexibase

40550235

Analogs

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Popular Name: (2R,4S)-4-methoxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-[(5-methylth…

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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)	-1.15	4.7	-68.82	1	7	-1	95	284.317	3	↓ MOL2 SDF SMILES Flexibase

40550236

Analogs

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Popular Name: (2S,4R)-4-methoxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-[(5-methylth…

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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)	-1.15	5.06	-64.06	1	7	-1	95	284.317	3	↓ MOL2 SDF SMILES Flexibase

40550237

Analogs

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Popular Name: (2S,4S)-4-methoxy-1-[(5-methylthiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-[(5-methylth…

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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)	-1.15	5	-66.8	1	7	-1	95	284.317	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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