ZINC 12

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ZINC Item

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23042597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2S)-3-(4-tert-butyl-2-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)	3.11	4.82	-12.71	2	6	0	79	348.443	6	↓ MOL2 SDF SMILES Flexibase

23042598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2R)-3-(4-tert-butyl-2-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)	3.11	4.95	-12.64	2	6	0	79	348.443	6	↓ MOL2 SDF SMILES Flexibase

24989096

Analogs

24209610
24209617

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-3-(4-tert-butylphen…

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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)	3.23	4.85	-12.13	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

24989099

Analogs

24209610
24209617

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-3-(4-tert-butylphen…

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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)	3.23	4.91	-12.32	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

24989102

Analogs

24209610
24209617

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-3-(4-tert-butylphen…

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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)	3.23	4.86	-12.27	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

24989105

Analogs

24209610
24209617

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2S)-3-(4-tert-butylphen…

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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)	3.23	4.91	-12.17	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

37099222

Analogs

40083258
47080909
47219380
19296415
2862791

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[3-(3-methylpheno…

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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)	2.36	5.52	-10.21	1	5	0	59	276.336	5	↓ MOL2 SDF SMILES Flexibase

57992748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-3-(3-ethylphenoxy)-2-hyd…

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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)	1.35	4.2	-13.27	1	6	0	70	292.335	6	↓ MOL2 SDF SMILES Flexibase

57992750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-3-(3-ethylphenoxy)-2-hyd…

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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)	1.35	4.26	-12.74	1	6	0	70	292.335	6	↓ MOL2 SDF SMILES Flexibase

58308099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-diethyl-3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]imidazolidine-2,4-dione 5,5-diethyl-3-[(2S)-2-hydroxy-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)	2.48	4.35	-11.32	2	6	0	79	320.389	7	↓ MOL2 SDF SMILES Flexibase

58308101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-diethyl-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]imidazolidine-2,4-dione 5,5-diethyl-3-[(2R)-2-hydroxy-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)	2.48	4.26	-11.41	2	6	0	79	320.389	7	↓ MOL2 SDF SMILES Flexibase

14234684

Analogs

14234688
12767591
12767595
12767600

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-5,5-diethyl-imidazolidine-2,4-dione 3-[(2R)-3-(4-bromophenoxy)-2-hyd…

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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)	2.84	4.26	-10.9	2	6	0	79	385.258	7	↓ MOL2 SDF SMILES Flexibase

14234688

Analogs

14234684
12767591

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-5,5-diethyl-imidazolidine-2,4-dione 3-[(2S)-3-(4-bromophenoxy)-2-hyd…

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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)	2.84	4.32	-10.65	2	6	0	79	385.258	7	↓ MOL2 SDF SMILES Flexibase

14234692

Analogs

14234696
14236216
14236220
14236224
14236228

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5,5-diethyl-imidazolidine-2,4-dione 3-[(2R)-3-(2,5-dimethylphenoxy)-…

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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)	2.85	5.04	-11.29	2	6	0	79	334.416	7	↓ MOL2 SDF SMILES Flexibase

14234696

Analogs

14236216
14236220
14236224
14236228
14234692

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5,5-diethyl-imidazolidine-2,4-dione 3-[(2S)-3-(2,5-dimethylphenoxy)-…

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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)	2.85	5.1	-11.1	2	6	0	79	334.416	7	↓ MOL2 SDF SMILES Flexibase

14235834

Analogs

14235837

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]imidazolidine-2,4-dione 3-[(2S)-3-(4-tert-butylphenoxy)-…

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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)	1.92	2.75	-12.53	2	6	0	79	306.362	6	↓ MOL2 SDF SMILES Flexibase

14235837

Analogs

14235834

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]imidazolidine-2,4-dione 3-[(2R)-3-(4-tert-butylphenoxy)-…

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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)	1.92	2.7	-12.66	2	6	0	79	306.362	6	↓ MOL2 SDF SMILES Flexibase

14235849

Analogs

14235852
34674679
37050444

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]imidazolidine-2,4-dione 3-[(2S)-3-(4-ethylphenoxy)-2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.13	1.87	-12.69	2	6	0	79	278.308	6	↓ MOL2 SDF SMILES Flexibase

14235852

Analogs

34674679
37050444
14235849

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]imidazolidine-2,4-dione 3-[(2R)-3-(4-ethylphenoxy)-2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.13	1.82	-12.86	2	6	0	79	278.308	6	↓ MOL2 SDF SMILES Flexibase

14236216

Analogs

14236220
14236224
14236228
14234692
14234696

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-3-(2,5-dimethylphen…

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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	3.94	-11.13	2	6	0	79	320.389	6	↓ MOL2 SDF SMILES Flexibase

14236220

Analogs

14236224
14236228
14234692
14234696

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-3-(2,5-dimethylphen…

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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	4	-11.01	2	6	0	79	320.389	6	↓ MOL2 SDF SMILES Flexibase

14236224

Analogs

14236228
14234692
14234696

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-3-(2,5-dimethylphen…

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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	4.02	-10.68	2	6	0	79	320.389	6	↓ MOL2 SDF SMILES Flexibase

14236228

Analogs

14234692
14234696

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5-ethyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2S)-3-(2,5-dimethylphen…

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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	4.07	-11.01	2	6	0	79	320.389	6	↓ MOL2 SDF SMILES Flexibase

14245315

Analogs

14245316
1165572
5614183

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2R)-3-(2,4-dichlorophenoxy)-…

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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)	2.31	2.83	-12.24	2	6	0	79	347.198	5	↓ MOL2 SDF SMILES Flexibase

14245316

Analogs

1165572
14245315

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2S)-3-(2,4-dichlorophenoxy)-…

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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)	2.31	2.88	-11.86	2	6	0	79	347.198	5	↓ MOL2 SDF SMILES Flexibase

14245317

Analogs

14245318
14245319
14245320
12868450
12868456

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-5-methyl-imidazolidine-2,4-dione (5S)-5-ethyl-3-[(2S)-3-(4-ethylp…

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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)	2.44	4.08	-10.39	2	6	0	79	320.389	7	↓ MOL2 SDF SMILES Flexibase

14245318

Analogs

14245319
14245320
12868450
12868456
14245317

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-5-methyl-imidazolidine-2,4-dione (5S)-5-ethyl-3-[(2R)-3-(4-ethylp…

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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)	2.44	4.05	-10.77	2	6	0	79	320.389	7	↓ MOL2 SDF SMILES Flexibase

14245319

Analogs

14245320
12868450
12868456
14245317

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-5-methyl-imidazolidine-2,4-dione (5R)-5-ethyl-3-[(2S)-3-(4-ethylp…

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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)	2.44	4.02	-10.52	2	6	0	79	320.389	7	↓ MOL2 SDF SMILES Flexibase

14245320

Analogs

12868450
12868456
14245317

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-5-methyl-imidazolidine-2,4-dione (5R)-5-ethyl-3-[(2R)-3-(4-ethylp…

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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)	2.44	4	-11.04	2	6	0	79	320.389	7	↓ MOL2 SDF SMILES Flexibase

14249026

Analogs

14249028
14249030
14249032
12916596
12916602

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5-isopentyl-5-methyl-imidazol (5S)-3-[(2S)-2-hydroxy-3-[2-meth…

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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)	3.26	6.57	-13.98	2	7	0	88	404.507	10	↓ MOL2 SDF SMILES Flexibase

14249028

Analogs

14249030
14249032
12916596
12916602
12916608

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5-isopentyl-5-methyl-imidazol (5S)-3-[(2R)-2-hydroxy-3-[2-meth…

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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)	3.26	6.49	-13.85	2	7	0	88	404.507	10	↓ MOL2 SDF SMILES Flexibase

14249030

Analogs

14249032
12916596
12916602
12916608

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Popular Name: (5R)-3-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5-isopentyl-5-methyl-imidazol (5R)-3-[(2S)-2-hydroxy-3-[2-meth…

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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)	3.26	6.56	-13.79	2	7	0	88	404.507	10	↓ MOL2 SDF SMILES Flexibase

14249032

Analogs

14249026
14249028
14249030

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Popular Name: (5R)-3-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5-isopentyl-5-methyl-imidazol (5R)-3-[(2R)-2-hydroxy-3-[2-meth…

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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)	3.26	6.43	-13.63	2	7	0	88	404.507	10	↓ MOL2 SDF SMILES Flexibase

14251266

Analogs

14251268

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Popular Name: 3-[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2S)-3-(4-acetylphenoxy)-2-hy…

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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)	0.92	2.22	-15.74	2	7	0	96	320.345	6	↓ MOL2 SDF SMILES Flexibase

14251268

Analogs

14251266

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Popular Name: 3-[(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[(2R)-3-(4-acetylphenoxy)-2-hy…

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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)	0.92	2.25	-16.46	2	7	0	96	320.345	6	↓ MOL2 SDF SMILES Flexibase

66237346

Analogs

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Popular Name: 3-[(2R)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-3-(4-chloro-2-isopropyl-…

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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)	2.48	5.87	-12.54	1	6	0	70	354.834	6	↓ MOL2 SDF SMILES Flexibase

66237347

Analogs

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Popular Name: 3-[(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-3-(4-chloro-2-isopropyl-…

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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)	2.48	5.92	-12.05	1	6	0	70	354.834	6	↓ MOL2 SDF SMILES Flexibase

66238222

Analogs

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Popular Name: (5R)-3-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-3-(2,6-dichlorophen…

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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)	3.56	5.55	-10.69	2	6	0	79	389.279	7	↓ MOL2 SDF SMILES Flexibase

66238223

Analogs

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Popular Name: (5R)-3-[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-3-(2,6-dichlorophen…

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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)	3.56	5.48	-10.55	2	6	0	79	389.279	7	↓ MOL2 SDF SMILES Flexibase

66238224

Analogs

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Popular Name: (5S)-3-[(2R)-3-(2,6-dichlorophenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-3-(2,6-dichlorophen…

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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)	3.56	5.01	-11.6	2	6	0	79	389.279	7	↓ MOL2 SDF SMILES Flexibase

66238241

Analogs

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Popular Name: (5R)-3-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-hydroxy-3-(2-isop…

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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)	3.29	5.85	-10.92	2	6	0	79	362.47	8	↓ MOL2 SDF SMILES Flexibase

66238242

Analogs

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Popular Name: (5R)-3-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-hydroxy-3-(2-isop…

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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)	3.29	5.78	-10.83	2	6	0	79	362.47	8	↓ MOL2 SDF SMILES Flexibase

66238243

Analogs

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Popular Name: (5S)-3-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-hydroxy-3-(2-isop…

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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)	3.29	6.32	-10.54	2	6	0	79	362.47	8	↓ MOL2 SDF SMILES Flexibase

66238271

Analogs

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Popular Name: (5R)-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-2-hydroxy-3-(4-meth…

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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)	2.75	5.42	-10.99	2	6	0	79	334.416	7	↓ MOL2 SDF SMILES Flexibase

66238272

Analogs

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Popular Name: (5R)-3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-2-hydroxy-3-(4-meth…

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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)	2.75	5.11	-10.74	2	6	0	79	334.416	7	↓ MOL2 SDF SMILES Flexibase

66238273

Analogs

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Popular Name: (5S)-3-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-2-hydroxy-3-(4-meth…

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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)	2.75	4.65	-11.28	2	6	0	79	334.416	7	↓ MOL2 SDF SMILES Flexibase

66238277

Analogs

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Popular Name: (5R)-3-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2R)-3-(2,6-dimethylphen…

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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)	3.10	6.18	-10.32	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

66238278

Analogs

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Popular Name: (5R)-3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-3-(2,6-dimethylphen…

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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)	3.10	5.87	-10.04	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

66238279

Analogs

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Popular Name: (5S)-3-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[(2R)-3-(2,6-dimethylphen…

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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)	3.10	5.41	-10.67	2	6	0	79	348.443	7	↓ MOL2 SDF SMILES Flexibase

66238283

Analogs

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Popular Name: (5R)-3-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[(2S)-3-(2,4-dichlorophen…

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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)	3.58	4.91	-11.78	2	6	0	79	389.279	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 137449
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 = 137449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=137449&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": "137449"        

    });
</script>

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