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ZINC Item

Suppliers, Protomers, & Similar Substances

Analogs

308379

Draw Identity 99% 90% 80% 70%

Popular Name: toin toin

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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	5.87	-8.2	1	3	0	32	212.318	4	↓ MOL2 SDF SMILES Flexibase

44018288

Analogs

43481977

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-bis(4-chlorophenyl)-3-heptyl-2-thioxo-imidazolidin-4-one 5,5-bis(4-chlorophenyl)-3-heptyl…

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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)	7.27	14.95	-7.41	1	3	0	32	435.42	8	↓ MOL2 SDF SMILES Flexibase

6878794

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-ac N-(4-chlorophenyl)-2-[3-[2-(3,4-…

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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)	4.37	-1.2	-16.01	1	7	0	71	461.971	8	↓ MOL2 SDF SMILES Flexibase

6878795

Analogs

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Popular Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)-a 2-[3-[2-(3,4-dimethoxyphenyl)eth…

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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)	3.75	-1.05	-16.49	1	8	0	80	457.552	9	↓ MOL2 SDF SMILES Flexibase

6878796

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-ac N-(4-chlorophenyl)-2-[3-[2-(3,4-…

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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)	4.37	-1	-15.95	1	7	0	71	461.971	8	↓ MOL2 SDF SMILES Flexibase

6878797

Analogs

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Popular Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphenyl)-a 2-[3-[2-(3,4-dimethoxyphenyl)eth…

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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)	3.75	-0.88	-16.22	1	8	0	80	457.552	9	↓ MOL2 SDF SMILES Flexibase

6879050

Analogs

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Popular Name: methyl methyl

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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)	4.77	1.15	-17.97	1	8	0	92	463.515	8	↓ MOL2 SDF SMILES Flexibase

44991833

Analogs

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Popular Name: N-[3-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]propanamide N-[3-[(4S)-4-methyl-5-oxo-2-thio…

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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)	1.78	5.36	-17.01	2	5	0	61	277.349	3	↓ MOL2 SDF SMILES Flexibase

44991835

Analogs

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Popular Name: N-[3-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]propanamide N-[3-[(4R)-4-methyl-5-oxo-2-thio…

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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)	1.78	5.36	-17.07	2	5	0	61	277.349	3	↓ MOL2 SDF SMILES Flexibase

44991956

Analogs

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Popular Name: (5R)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[(1S)-1-[4-(difluorometho…

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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)	2.62	6.17	-13.49	1	4	0	42	300.33	4	↓ MOL2 SDF SMILES Flexibase

44991958

Analogs

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Popular Name: (5S)-3-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[(1S)-1-[4-(difluorometho…

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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)	2.62	6.17	-13.66	1	4	0	42	300.33	4	↓ MOL2 SDF SMILES Flexibase

44991960

Analogs

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Popular Name: (5R)-3-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[(1R)-1-[4-(difluorometho…

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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)	2.62	6.2	-13.49	1	4	0	42	300.33	4	↓ MOL2 SDF SMILES Flexibase

44991962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[(1R)-1-[4-(difluorometho…

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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)	2.62	6.2	-13.33	1	4	0	42	300.33	4	↓ MOL2 SDF SMILES Flexibase

44992352

Analogs

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Popular Name: (5R)-5-methyl-3-[[(1R)-tetralin-1-yl]methyl]-2-thioxo-imidazolidin-4-one (5R)-5-methyl-3-[[(1R)-tetralin-…

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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)	2.42	8.43	-10.38	1	3	0	32	274.389	2	↓ MOL2 SDF SMILES Flexibase

44992354

Analogs

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Popular Name: (5S)-5-methyl-3-[[(1R)-tetralin-1-yl]methyl]-2-thioxo-imidazolidin-4-one (5S)-5-methyl-3-[[(1R)-tetralin-…

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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)	2.42	8.43	-10.41	1	3	0	32	274.389	2	↓ MOL2 SDF SMILES Flexibase

44992356

Analogs

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Popular Name: (5R)-5-methyl-3-[[(1S)-tetralin-1-yl]methyl]-2-thioxo-imidazolidin-4-one (5R)-5-methyl-3-[[(1S)-tetralin-…

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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)	2.42	8.1	-10.1	1	3	0	32	274.389	2	↓ MOL2 SDF SMILES Flexibase

44992358

Analogs

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Popular Name: (5S)-5-methyl-3-[[(1S)-tetralin-1-yl]methyl]-2-thioxo-imidazolidin-4-one (5S)-5-methyl-3-[[(1S)-tetralin-…

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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)	2.42	8.1	-10.11	1	3	0	32	274.389	2	↓ MOL2 SDF SMILES Flexibase

44993199

Analogs

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Popular Name: 2-[4-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenoxy]acetamide 2-[4-[(4R)-4-methyl-5-oxo-2-thio…

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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	3.06	-21.17	3	6	0	85	279.321	4	↓ MOL2 SDF SMILES Flexibase

44993201

Analogs

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Popular Name: 2-[4-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenoxy]acetamide 2-[4-[(4S)-4-methyl-5-oxo-2-thio…

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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	3.06	-21.23	3	6	0	85	279.321	4	↓ MOL2 SDF SMILES Flexibase

44993303

Analogs

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Popular Name: N-[2-chloro-4-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]methanesulfonamide N-[2-chloro-4-[(4R)-4-methyl-5-o…

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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)	1.58	2.92	-16.85	2	6	0	79	333.822	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	2.99	-48.45	1	6	-1	81	332.814	3	↓ MOL2 SDF SMILES Flexibase

44993305

Analogs

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Popular Name: N-[2-chloro-4-[(4S)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]phenyl]methanesulfonamide N-[2-chloro-4-[(4S)-4-methyl-5-o…

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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)	1.58	2.92	-16.8	2	6	0	79	333.822	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	2.99	-48.49	1	6	-1	81	332.814	3	↓ MOL2 SDF SMILES Flexibase

44993339

Analogs

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Popular Name: (5R)-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[[(3S)-1,1-dioxothiolan-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)	-0.05	1.72	-19.09	1	5	0	66	262.356	2	↓ MOL2 SDF SMILES Flexibase

44993341

Analogs

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Popular Name: (5S)-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[[(3S)-1,1-dioxothiolan-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)	-0.05	1.72	-19.08	1	5	0	66	262.356	2	↓ MOL2 SDF SMILES Flexibase

44993343

Analogs

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Popular Name: (5R)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-2-thioxo-imidazolidin-4-one (5R)-3-[[(3R)-1,1-dioxothiolan-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)	-0.05	1.35	-18.09	1	5	0	66	262.356	2	↓ MOL2 SDF SMILES Flexibase

44993345

Analogs

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Popular Name: (5S)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-methyl-2-thioxo-imidazolidin-4-one (5S)-3-[[(3R)-1,1-dioxothiolan-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)	-0.05	1.35	-18.05	1	5	0	66	262.356	2	↓ MOL2 SDF SMILES Flexibase

44993347

Analogs

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Popular Name: (5R)-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5R)-3-[[(3S)-1,1-dioxothiolan-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)	0.40	3.77	-20.31	1	5	0	66	322.477	5	↓ MOL2 SDF SMILES Flexibase

44993349

Analogs

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Popular Name: (5S)-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-[[(3S)-1,1-dioxothiolan-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)	0.40	3.77	-20.2	1	5	0	66	322.477	5	↓ MOL2 SDF SMILES Flexibase

44993351

Analogs

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Popular Name: (5R)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5R)-3-[[(3R)-1,1-dioxothiolan-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)	0.40	3.39	-19.43	1	5	0	66	322.477	5	↓ MOL2 SDF SMILES Flexibase

44993353

Analogs

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Popular Name: (5S)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-[[(3R)-1,1-dioxothiolan-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)	0.40	3.39	-19.2	1	5	0	66	322.477	5	↓ MOL2 SDF SMILES Flexibase

33445819

Analogs

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Popular Name: 2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]-N-phenyl-ac 2-[(4R)-3-[(4-fluorophenyl)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)	5.56	12.54	-13.39	1	6	0	62	463.534	7	↓ MOL2 SDF SMILES Flexibase

33445820

Analogs

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Popular Name: 2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]-N-phenyl-ac 2-[(4S)-3-[(4-fluorophenyl)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)	5.56	13.96	-22.23	1	6	0	62	463.534	7	↓ MOL2 SDF SMILES Flexibase

35254147

Analogs

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Popular Name: N-[(5S)-3-benzyl-5-[2-(2-fluoroanilino)-2-oxo-ethyl]-4-oxo-2-thioxo-imidazolidin-1-yl]benzamide N-[(5S)-3-benzyl-5-[2-(2-fluoroa…

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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)	3.54	12.88	-18.14	2	7	0	82	476.533	7	↓ MOL2 SDF SMILES Flexibase

35254149

Analogs

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Popular Name: N-[(5R)-3-benzyl-5-[2-(2-fluoroanilino)-2-oxo-ethyl]-4-oxo-2-thioxo-imidazolidin-1-yl]benzamide N-[(5R)-3-benzyl-5-[2-(2-fluoroa…

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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)	3.54	12.76	-17.2	2	7	0	82	476.533	7	↓ MOL2 SDF SMILES Flexibase

53496583

Analogs

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Popular Name: (5S)-5-methyl-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-thioxo-imidazolidin-4-one (5S)-5-methyl-3-(3-methyl-4-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)	2.62	8.78	-12.2	1	4	0	36	289.404	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.62	8.74	-37.95	2	4	1	37	290.412	2	↓ MOL2 SDF SMILES Flexibase

53496585

Analogs

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Popular Name: (5R)-5-methyl-3-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-thioxo-imidazolidin-4-one (5R)-5-methyl-3-(3-methyl-4-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)	2.62	8.78	-12.22	1	4	0	36	289.404	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.62	8.73	-38.09	2	4	1	37	290.412	2	↓ MOL2 SDF SMILES Flexibase

20494147

Analogs

4176760
4176763

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Popular Name: 2-[(4S)-1-(4-chlorophenyl)-3-(3-morpholinopropyl)-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphen 2-[(4S)-1-(4-chlorophenyl)-3-(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)	4.82	10.6	-23.63	1	8	0	74	517.051	9	↓ MOL2 SDF SMILES Flexibase

20494149

Analogs

4176760
4176763

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-1-(4-chlorophenyl)-3-(3-morpholinopropyl)-5-oxo-2-thioxo-imidazolidin-4-yl]-N-(4-methoxyphen 2-[(4R)-1-(4-chlorophenyl)-3-(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)	4.82	10.51	-23.5	1	8	0	74	517.051	9	↓ MOL2 SDF SMILES Flexibase

22358457

Analogs

16756330
16756333

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Popular Name: N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3R)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4S)-5-ox…

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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)	4.00	9.75	-32.47	2	8	0	91	466.563	6	↓ MOL2 SDF SMILES Flexibase

22358460

Analogs

16756330
16756333

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(4R)-5-oxo-3-[(3R)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4R)-5-ox…

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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)	4.00	9.76	-29.46	2	8	0	91	466.563	6	↓ MOL2 SDF SMILES Flexibase

22358462

Analogs

16756330
16756333

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(4S)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4S)-5-ox…

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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)	4.00	8.14	-16.39	2	8	0	91	466.563	6	↓ MOL2 SDF SMILES Flexibase

22358465

Analogs

16756330
16756333

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(4R)-5-oxo-3-[(3S)-2-oxoazepan-3-yl]-1-phenyl-2-thioxo-imidazolidin-4-yl]acet N-(4-methoxyphenyl)-2-[(4R)-5-ox…

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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)	4.00	7.25	-24.34	2	8	0	91	466.563	6	↓ MOL2 SDF SMILES Flexibase

12401254

Analogs

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Popular Name: 4-[(4R)-4-isopropyl-5-oxo-2-thioxo-imidazolidin-1-yl]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide 4-[(4R)-4-isopropyl-5-oxo-2-thio…

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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)	1.89	-7.53	-19.6	2	9	0	114	421.504	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.89	-7.04	-52.61	1	9	-1	116	420.496	6	↓ MOL2 SDF SMILES Flexibase

12401256

Analogs

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Popular Name: 4-[(4S)-4-isopropyl-5-oxo-2-thioxo-imidazolidin-1-yl]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide 4-[(4S)-4-isopropyl-5-oxo-2-thio…

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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)	1.89	-7.34	-19.73	2	9	0	114	421.504	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.89	-6.85	-53.83	1	9	-1	116	420.496	6	↓ MOL2 SDF SMILES Flexibase

12539031

Analogs

12539034

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-3-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-2-thioxo-imidazolidin-4-one (5S)-5-methyl-3-(7,8,9,10-tetrah…

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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)	2.47	8.24	-18.4	1	5	0	50	314.414	1	↓ MOL2 SDF SMILES Flexibase

12539034

Analogs

12539031

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-3-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-2-thioxo-imidazolidin-4-one (5R)-5-methyl-3-(7,8,9,10-tetrah…

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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)	2.47	8.24	-19.28	1	5	0	50	314.414	1	↓ MOL2 SDF SMILES Flexibase

22997993

Analogs

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Popular Name: 3-(2-morpholinoethyl)-2-thioxo-imidazolidin-4-one 3-(2-morpholinoethyl)-2-thioxo-i…

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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	0.99	-15.35	1	5	0	45	229.305	3	↓ MOL2 SDF SMILES Flexibase

13423986

Analogs

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Popular Name: 2-[(4S)-3-(2-furylmethyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-phenethyl-acetamide 2-[(4S)-3-(2-furylmethyl)-5-oxo-…

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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)	4.71	13.59	-20.42	1	6	0	66	433.533	8	↓ MOL2 SDF SMILES Flexibase

13423987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-3-(2-furylmethyl)-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]-N-phenethyl-acetamide 2-[(4R)-3-(2-furylmethyl)-5-oxo-…

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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)	4.71	13.83	-18.59	1	6	0	66	433.533	8	↓ MOL2 SDF SMILES Flexibase

13423989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(4S)-5-oxo-3-phenethyl-1-phenyl-2-thioxo-imidazolidin-4-yl]acetamide N-(4-bromophenyl)-2-[(4S)-5-oxo-…

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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)	6.56	16.2	-20.2	1	5	0	53	508.441	7	↓ MOL2 SDF SMILES Flexibase

13423990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[(4R)-5-oxo-3-phenethyl-1-phenyl-2-thioxo-imidazolidin-4-yl]acetamide N-(4-bromophenyl)-2-[(4R)-5-oxo-…

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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)	6.56	16.07	-20.98	1	5	0	53	508.441	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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