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ZINC Item

Suppliers, Protomers, & Similar Substances

62660329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-phenylpyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-phenylpyrrolidin-1-yl]-t…

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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)	2.53	7.53	-11.1	0	3	0	33	258.346	2	↓ MOL2 SDF SMILES Flexibase

62660333

Analogs

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Popular Name: [(2R)-2-phenylpyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-phenylpyrrolidin-1-yl]-t…

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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)	2.53	7.53	-11.12	0	3	0	33	258.346	2	↓ MOL2 SDF SMILES Flexibase

62661742

Analogs

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Popular Name: [(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(4-methoxyphenyl)pyrroli…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.84	-12.19	0	4	0	42	288.372	3	↓ MOL2 SDF SMILES Flexibase

62661743

Analogs

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Popular Name: [(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(4-methoxyphenyl)pyrroli…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.83	-12.18	0	4	0	42	288.372	3	↓ MOL2 SDF SMILES Flexibase

62661934

Analogs

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Popular Name: [(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(3-methoxyphenyl)pyrroli…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.84	-12.69	0	4	0	42	288.372	3	↓ MOL2 SDF SMILES Flexibase

62661939

Analogs

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Popular Name: [(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(3-methoxyphenyl)pyrroli…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.83	-12.68	0	4	0	42	288.372	3	↓ MOL2 SDF SMILES Flexibase

62662376

Analogs

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Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(3-chlorophenyl)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)	3.18	8.05	-10.83	0	3	0	33	292.791	2	↓ MOL2 SDF SMILES Flexibase

62662379

Analogs

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Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(3-chlorophenyl)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)	3.18	8.05	-10.83	0	3	0	33	292.791	2	↓ MOL2 SDF SMILES Flexibase

62662417

Analogs

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Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(2-chlorophenyl)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)	3.16	7.87	-10.73	0	3	0	33	292.791	2	↓ MOL2 SDF SMILES Flexibase

62662420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(2-chlorophenyl)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)	3.16	7.94	-10.88	0	3	0	33	292.791	2	↓ MOL2 SDF SMILES Flexibase

62662422

Analogs

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Popular Name: [(2S)-2-(o-tolyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(o-tolyl)pyrrolidin-1-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)	2.93	7.97	-11.58	0	3	0	33	272.373	2	↓ MOL2 SDF SMILES Flexibase

62662425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(o-tolyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(o-tolyl)pyrrolidin-1-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)	2.93	7.98	-11.54	0	3	0	33	272.373	2	↓ MOL2 SDF SMILES Flexibase

62662428

Analogs

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Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(3-bromophenyl)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)	3.31	8.16	-10.74	0	3	0	33	337.242	2	↓ MOL2 SDF SMILES Flexibase

62662431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(3-bromophenyl)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)	3.31	8.16	-10.75	0	3	0	33	337.242	2	↓ MOL2 SDF SMILES Flexibase

62662573

Analogs

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Popular Name: [(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2S)-2-(3,4-dichlorophenyl)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)	3.81	8.51	-10.59	0	3	0	33	327.236	2	↓ MOL2 SDF SMILES Flexibase

62662577

Analogs

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Popular Name: [(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-thiazol-4-yl-methanone [(2R)-2-(3,4-dichlorophenyl)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)	3.81	8.5	-10.6	0	3	0	33	327.236	2	↓ MOL2 SDF SMILES Flexibase

70009454

Analogs

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Popular Name: [2-(methoxymethyl)thiazol-4-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone [2-(methoxymethyl)thiazol-4-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)	2.27	6.58	-12.09	0	5	0	52	332.425	5	↓ MOL2 SDF SMILES Flexibase

49307808

Analogs

34668991
34668993

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Popular Name: (2-methylthiazol-4-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone (2-methylthiazol-4-yl)-[(2R)-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)	2.24	8.23	-10.68	0	3	0	33	272.373	2	↓ MOL2 SDF SMILES Flexibase

49307811

Analogs

34668991
34668993

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methylthiazol-4-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (2-methylthiazol-4-yl)-[(2S)-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)	2.24	8.23	-10.64	0	3	0	33	272.373	2	↓ MOL2 SDF SMILES Flexibase

49307831

Analogs

34847645
701657
701730

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(4-fluorophenyl)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)	2.41	8.3	-10.27	0	3	0	33	290.363	2	↓ MOL2 SDF SMILES Flexibase

49307834

Analogs

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Popular Name: [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(4-fluorophenyl)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)	2.41	8.3	-10.22	0	3	0	33	290.363	2	↓ MOL2 SDF SMILES Flexibase

49308186

Analogs

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Popular Name: [(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(4-chlorophenyl)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)	2.92	8.75	-9.78	0	3	0	33	306.818	2	↓ MOL2 SDF SMILES Flexibase

49308190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(4-chlorophenyl)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)	2.92	8.75	-9.81	0	3	0	33	306.818	2	↓ MOL2 SDF SMILES Flexibase

49313430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(2-chlorophenyl)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)	2.87	8.65	-10.4	0	3	0	33	306.818	2	↓ MOL2 SDF SMILES Flexibase

49313432

Analogs

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Popular Name: [(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(2-chlorophenyl)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)	2.87	8.58	-10.3	0	3	0	33	306.818	2	↓ MOL2 SDF SMILES Flexibase

49313434

Analogs

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Popular Name: [(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(3-bromophenyl)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)	3.03	8.84	-9.94	0	3	0	33	351.269	2	↓ MOL2 SDF SMILES Flexibase

49313436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(3-bromophenyl)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)	3.03	8.85	-9.94	0	3	0	33	351.269	2	↓ MOL2 SDF SMILES Flexibase

49342025

Analogs

698570

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Popular Name: [(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(3-chlorophenyl)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)	2.90	8.74	-10.07	0	3	0	33	306.818	2	↓ MOL2 SDF SMILES Flexibase

49342026

Analogs

698570

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(3-chlorophenyl)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)	2.90	8.74	-10.01	0	3	0	33	306.818	2	↓ MOL2 SDF SMILES Flexibase

49342117

Analogs

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Popular Name: (2-methylthiazol-4-yl)-[(2S)-2-(o-tolyl)pyrrolidin-1-yl]methanone (2-methylthiazol-4-yl)-[(2S)-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)	2.65	8.67	-11.26	0	3	0	33	286.4	2	↓ MOL2 SDF SMILES Flexibase

49342118

Analogs

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Popular Name: (2-methylthiazol-4-yl)-[(2R)-2-(o-tolyl)pyrrolidin-1-yl]methanone (2-methylthiazol-4-yl)-[(2R)-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)	2.65	8.68	-11.16	0	3	0	33	286.4	2	↓ MOL2 SDF SMILES Flexibase

49342156

Analogs

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Popular Name: [(2R)-2-(4-bromophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(4-bromophenyl)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)	3.05	8.85	-9.69	0	3	0	33	351.269	2	↓ MOL2 SDF SMILES Flexibase

49342157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(4-bromophenyl)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)	3.05	8.86	-9.7	0	3	0	33	351.269	2	↓ MOL2 SDF SMILES Flexibase

49342158

Analogs

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Popular Name: [(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2R)-2-(3-fluorophenyl)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)	2.38	8.3	-10.65	0	3	0	33	290.363	2	↓ MOL2 SDF SMILES Flexibase

49342159

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Popular Name: [(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(2-methylthiazol-4-yl)methanone [(2S)-2-(3-fluorophenyl)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)	2.38	8.3	-10.66	0	3	0	33	290.363	2	↓ MOL2 SDF SMILES Flexibase

49342218

Analogs

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Popular Name: (2-methylthiazol-4-yl)-[(2S)-2-(m-tolyl)pyrrolidin-1-yl]methanone (2-methylthiazol-4-yl)-[(2S)-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)	2.67	8.89	-10.87	0	3	0	33	286.4	2	↓ MOL2 SDF SMILES Flexibase

49342219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methylthiazol-4-yl)-[(2R)-2-(m-tolyl)pyrrolidin-1-yl]methanone (2-methylthiazol-4-yl)-[(2R)-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)	2.67	8.89	-10.83	0	3	0	33	286.4	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 266041
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 = 266041 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=266041&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": "266041"        

    });
</script>

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