ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22704164

Analogs

12615691
12615694

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-N-sec-butyl-acetamide 2-[(4R)-4-methyl-2,5-dioxo-3-(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)	2.71	7.58	-16.96	1	6	0	70	317.389	5	↓ MOL2 SDF SMILES Flexibase

22704168

Analogs

12615691
12615694

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-N-sec-butyl-acetamide 2-[(4R)-4-methyl-2,5-dioxo-3-(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)	2.71	7.58	-16.61	1	6	0	70	317.389	5	↓ MOL2 SDF SMILES Flexibase

22704172

Analogs

12615691
12615694

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-N-sec-butyl-acetamide 2-[(4S)-4-methyl-2,5-dioxo-3-(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)	2.71	7.58	-16.63	1	6	0	70	317.389	5	↓ MOL2 SDF SMILES Flexibase

22704176

Analogs

12615691
12615694

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-N-sec-butyl-acetamide 2-[(4S)-4-methyl-2,5-dioxo-3-(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)	2.71	7.58	-16.67	1	6	0	70	317.389	5	↓ MOL2 SDF SMILES Flexibase

22704199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,2-dimethylpropyl]-2-[(4R)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(1R)-1,2-dimethylpropyl]-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)	2.96	8.12	-16.54	1	6	0	70	331.416	5	↓ MOL2 SDF SMILES Flexibase

22704202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,2-dimethylpropyl]-2-[(4R)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(1S)-1,2-dimethylpropyl]-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)	2.96	8.12	-16.51	1	6	0	70	331.416	5	↓ MOL2 SDF SMILES Flexibase

22704205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,2-dimethylpropyl]-2-[(4S)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(1R)-1,2-dimethylpropyl]-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)	2.96	8.13	-16.55	1	6	0	70	331.416	5	↓ MOL2 SDF SMILES Flexibase

22704209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,2-dimethylpropyl]-2-[(4S)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]acetamide N-[(1S)-1,2-dimethylpropyl]-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)	2.96	8.13	-16.56	1	6	0	70	331.416	5	↓ MOL2 SDF SMILES Flexibase

22704213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(4S)-4-methyl-2,5-dioxo-3-(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)	2.43	6.29	-14.75	1	6	0	70	343.305	5	↓ MOL2 SDF SMILES Flexibase

22704217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-methyl-2,5-dioxo-3-(p-tolyl)imidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(4R)-4-methyl-2,5-dioxo-3-(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)	2.43	6.28	-14.76	1	6	0	70	343.305	5	↓ MOL2 SDF SMILES Flexibase

57928150

Analogs

4219760

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,4-dimethylpentyl]-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetamid N-[(1S)-1,4-dimethylpentyl]-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)	3.47	9.06	-14.43	1	6	0	70	363.433	7	↓ MOL2 SDF SMILES Flexibase

57928158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,4-dimethylpentyl]-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetamid N-[(1S)-1,4-dimethylpentyl]-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)	3.47	9.06	-14.68	1	6	0	70	363.433	7	↓ MOL2 SDF SMILES Flexibase

57928162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,4-dimethylpentyl]-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetamid N-[(1R)-1,4-dimethylpentyl]-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)	3.47	9.06	-14.36	1	6	0	70	363.433	7	↓ MOL2 SDF SMILES Flexibase

57928168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,4-dimethylpentyl]-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetamid N-[(1R)-1,4-dimethylpentyl]-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)	3.47	9.06	-14.66	1	6	0	70	363.433	7	↓ MOL2 SDF SMILES Flexibase

69062090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[methyl(propyl)amino]methyl]-1-phenyl-imidazolidine-2,4-dione 3-[[methyl(propyl)amino]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)	2.01	5.72	-8.68	0	5	0	44	261.325	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.01	8.01	-35.4	1	5	1	45	262.333	5	↓ MOL2 SDF SMILES Flexibase

69573394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(4R)-3-(4-fluorophenyl)-4-met…

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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)	2.14	5.67	-13.45	1	6	0	70	347.268	5	↓ MOL2 SDF SMILES Flexibase

69573395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[(4S)-3-(4-fluorophenyl)-4-met…

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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)	2.14	5.67	-13.72	1	6	0	70	347.268	5	↓ MOL2 SDF SMILES Flexibase

65516838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(2-methylallyl)-2-[(4S)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]acetamide N-ethyl-N-(2-methylallyl)-2-[(4S…

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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)	2.37	9.39	-15.07	0	6	0	61	329.4	6	↓ MOL2 SDF SMILES Flexibase

65516841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(2-methylallyl)-2-[(4R)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]acetamide N-ethyl-N-(2-methylallyl)-2-[(4R…

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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)	2.37	9.38	-15.41	0	6	0	61	329.4	6	↓ MOL2 SDF SMILES Flexibase

65528620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(4S)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]acetamide N,N-diethyl-2-[(4S)-4-methyl-2,5…

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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)	1.55	8.16	-15.14	0	6	0	61	303.362	5	↓ MOL2 SDF SMILES Flexibase

65528622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]acetamide N,N-diethyl-2-[(4R)-4-methyl-2,5…

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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)	1.55	8.16	-15.41	0	6	0	61	303.362	5	↓ MOL2 SDF SMILES Flexibase

65528706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diallyl-2-[(4R)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]acetamide N,N-diallyl-2-[(4R)-4-methyl-2,5…

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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	9.3	-14.81	0	6	0	61	327.384	7	↓ MOL2 SDF SMILES Flexibase

65528709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diallyl-2-[(4S)-4-methyl-2,5-dioxo-3-phenyl-imidazolidin-1-yl]acetamide N,N-diallyl-2-[(4S)-4-methyl-2,5…

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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	9.3	-15.04	0	6	0	61	327.384	7	↓ MOL2 SDF SMILES Flexibase

65539448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopentyl-1-phenyl-imidazolidine-2,4-dione 3-isopentyl-1-phenyl-imidazolidi…

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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)	2.77	7.95	-8.73	0	4	0	41	246.31	4	↓ MOL2 SDF SMILES Flexibase

69738102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-1-(4-fluorophenyl)-5-methyl-3-(2,2,3,3-tetrafluoropropyl)imidazolidine-2,4-dione (5R)-1-(4-fluorophenyl)-5-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)	2.82	7.62	-12.17	0	4	0	41	322.233	4	↓ MOL2 SDF SMILES Flexibase

69738103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(4-fluorophenyl)-5-methyl-3-(2,2,3,3-tetrafluoropropyl)imidazolidine-2,4-dione (5S)-1-(4-fluorophenyl)-5-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)	2.82	7.62	-12.38	0	4	0	41	322.233	4	↓ MOL2 SDF SMILES Flexibase

69895202

Analogs

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Popular Name: 3-(2-bromoallyl)-1-phenyl-imidazolidine-2,4-dione 3-(2-bromoallyl)-1-phenyl-imidaz…

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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)	2.23	7	-9.53	0	4	0	41	295.136	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 74848
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = affiliate
iosrcn = axeso
iid = 191540506

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 = 74848 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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