ZINC 12

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ZINC Item

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6728578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-2-[3-(o-tolylmethyl)-2-oxo-imidazolidin-1-yl]-acetamide N-(2-methoxyethyl)-2-[3-(o-tolyl…

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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)	1.49	6.09	-18.36	1	6	0	62	305.378	7	↓ MOL2 SDF SMILES Flexibase

6728624

Analogs

4930737

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[2-oxo-3-(p-tolylmethyl)imidazolidin-1-yl]-acetamide N-butyl-2-[2-oxo-3-(p-tolylmethy…

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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)	2.99	-1	-17.62	1	5	0	52	303.406	7	↓ MOL2 SDF SMILES Flexibase

6728665

Analogs

21778152
21778156

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[3-[(2-chloro-4-fluoro-phenyl)methyl]-2-oxo-imidazolidin-1-yl]-acetamide N-butyl-2-[3-[(2-chloro-4-fluoro…

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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	-0.81	-15.44	1	5	0	52	341.814	7	↓ MOL2 SDF SMILES Flexibase

52885393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-aminophenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(4-aminophenyl)methyl]-3-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)	0.57	4.04	-12.24	2	4	0	50	205.261	2	↓ MOL2 SDF SMILES Flexibase

52885394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-amino-2-methoxy-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(5-amino-2-methoxy-phenyl)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)	0.56	4.6	-12.6	2	5	0	59	235.287	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.56	4.45	-56.94	3	5	1	60	236.295	3	↓ MOL2 SDF SMILES Flexibase

52885395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-aminophenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(3-aminophenyl)methyl]-3-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)	0.55	4.03	-12.04	2	4	0	50	205.261	2	↓ MOL2 SDF SMILES Flexibase

52885396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-aminophenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(2-aminophenyl)methyl]-3-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)	0.93	4.16	-12.41	2	4	0	50	205.261	2	↓ MOL2 SDF SMILES Flexibase

52885397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-amino-4-methoxy-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(3-amino-4-methoxy-phenyl)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)	0.96	3.45	-12.99	2	5	0	59	235.287	3	↓ MOL2 SDF SMILES Flexibase

52885399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-amino-5-fluoro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(2-amino-5-fluoro-phenyl)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)	1.07	4.22	-14.92	2	4	0	50	223.251	2	↓ MOL2 SDF SMILES Flexibase

52885400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-amino-6-bromo-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(2-amino-6-bromo-phenyl)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)	1.69	4.57	-11.21	2	4	0	50	284.157	2	↓ MOL2 SDF SMILES Flexibase

52885401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-amino-4-chloro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(3-amino-4-chloro-phenyl)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)	1.59	4.61	-11.36	2	4	0	50	239.706	2	↓ MOL2 SDF SMILES Flexibase

52885402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-amino-2-chloro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(5-amino-2-chloro-phenyl)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)	1.18	4.15	-9.72	2	4	0	50	239.706	2	↓ MOL2 SDF SMILES Flexibase

52885412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-amino-2-ethoxy-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(5-amino-2-ethoxy-phenyl)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)	0.93	4.36	-11.31	2	5	0	59	249.314	4	↓ MOL2 SDF SMILES Flexibase

52885417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzamide 3-amino-4-[(3-methyl-2-oxo-imida…

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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)	-0.27	0.94	-16.02	4	6	0	93	248.286	3	↓ MOL2 SDF SMILES Flexibase

52885422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-amino-2-methyl-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(3-amino-2-methyl-phenyl)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)	1.33	4.42	-12.99	2	4	0	50	219.288	2	↓ MOL2 SDF SMILES Flexibase

52885426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-amino-2-bromo-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(4-amino-2-bromo-phenyl)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)	1.31	4.3	-9.57	2	4	0	50	284.157	2	↓ MOL2 SDF SMILES Flexibase

52885465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-amino-4-chloro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(2-amino-4-chloro-phenyl)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)	1.59	4.68	-11.96	2	4	0	50	239.706	2	↓ MOL2 SDF SMILES Flexibase

52885467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-amino-2-chloro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(4-amino-2-chloro-phenyl)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)	1.18	4.36	-11.82	2	4	0	50	239.706	2	↓ MOL2 SDF SMILES Flexibase

52885468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(aminomethyl)phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[4-(aminomethyl)phenyl]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)	0.68	4.2	-52.72	3	4	1	51	220.296	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.68	3.8	-11.54	2	4	0	50	219.288	3	↓ MOL2 SDF SMILES Flexibase

52885469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-(aminomethyl)phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-(aminomethyl)phenyl]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)	0.63	4.67	-56.35	3	4	1	51	220.296	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.63	4.31	-10.82	2	4	0	50	219.288	3	↓ MOL2 SDF SMILES Flexibase

52885474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(aminomethyl)phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[3-(aminomethyl)phenyl]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)	0.66	4.19	-44.06	3	4	1	51	220.296	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.66	3.79	-11.37	2	4	0	50	219.288	3	↓ MOL2 SDF SMILES Flexibase

52885476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(aminomethyl)-2-fluoro-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(aminomethyl)-2-fluoro-phe…

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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)	0.77	4.09	-50.16	3	4	1	51	238.286	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.77	3.69	-10.25	2	4	0	50	237.278	3	↓ MOL2 SDF SMILES Flexibase

52885478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[4-(aminomethyl)-2-fluoro-phe…

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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)	0.77	4.22	-58.58	3	4	1	51	238.286	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.77	3.82	-14.57	2	4	0	50	237.278	3	↓ MOL2 SDF SMILES Flexibase

52885490

Analogs

Draw Identity 99% 90% 80% 70%

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)	1.67	6.81	-13.77	0	5	0	50	248.282	4	↓ MOL2 SDF SMILES Flexibase

52885491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzoic acid 4-[(3-methyl-2-oxoimidazolidin-1…

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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)	1.41	6.73	-58.4	0	5	-1	64	233.247	3	↓ MOL2 SDF SMILES Flexibase

52885500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzoic 3-[(3-methyl-2-oxo-imidazolidin-…

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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)	1.38	6.72	-69.76	0	5	-1	64	233.247	3	↓ MOL2 SDF SMILES Flexibase

52885503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzoic 2-[(3-methyl-2-oxo-imidazolidin-…

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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)	1.02	7.09	-57.77	0	5	-1	64	233.247	3	↓ MOL2 SDF SMILES Flexibase

52885559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(1S)-1-(ethylamino)ethyl]-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(1S)-1-(ethylamino)ethyl]…

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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)	1.98	8.13	-49.23	2	5	1	49	292.403	6	↓ MOL2 SDF SMILES Flexibase

52885560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(1R)-1-(ethylamino)ethyl]-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(1R)-1-(ethylamino)ethyl]…

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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)	1.98	8.12	-49.77	2	5	1	49	292.403	6	↓ MOL2 SDF SMILES Flexibase

52885606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-methoxy-5-[(1S)-1-(methylamino)ethyl]phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-methoxy-5-[(1S)-1-(methyla…

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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)	1.60	7.28	-50.36	2	5	1	49	278.376	5	↓ MOL2 SDF SMILES Flexibase

52885607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-methoxy-5-[(1R)-1-(methylamino)ethyl]phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-methoxy-5-[(1R)-1-(methyla…

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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)	1.60	7.28	-50.94	2	5	1	49	278.376	5	↓ MOL2 SDF SMILES Flexibase

52885608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-ethoxy-5-[(1R)-1-(methylamino)ethyl]phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-ethoxy-5-[(1R)-1-(methylam…

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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)	1.98	7.03	-43.18	2	5	1	49	292.403	6	↓ MOL2 SDF SMILES Flexibase

52885609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-ethoxy-5-[(1S)-1-(methylamino)ethyl]phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-ethoxy-5-[(1S)-1-(methylam…

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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)	1.98	7.03	-42.11	2	5	1	49	292.403	6	↓ MOL2 SDF SMILES Flexibase

52885626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(1R)-1-aminoethyl]-2-ethoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(1R)-1-aminoethyl]-2-etho…

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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)	-0.28	5.26	-48.47	3	5	1	60	278.376	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	4.93	-11.24	2	5	0	59	277.368	5	↓ MOL2 SDF SMILES Flexibase

52885627

Analogs

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Popular Name: 1-[[5-[(1S)-1-aminoethyl]-2-ethoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(1S)-1-aminoethyl]-2-etho…

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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)	-0.28	5.26	-47.23	3	5	1	60	278.376	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.28	4.93	-10.73	2	5	0	59	277.368	5	↓ MOL2 SDF SMILES Flexibase

52885628

Analogs

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Popular Name: 1-[[5-[(1S)-1-aminoethyl]-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(1S)-1-aminoethyl]-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)	-0.65	5.5	-55.91	3	5	1	60	264.349	4	↓ MOL2 SDF SMILES Flexibase

52885629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-[(1R)-1-aminoethyl]-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(1R)-1-aminoethyl]-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)	-0.65	5.5	-56.56	3	5	1	60	264.349	4	↓ MOL2 SDF SMILES Flexibase

52885638

Analogs

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Popular Name: 1-[[5-(aminomethyl)-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(aminomethyl)-2-methoxy-ph…

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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)	0.67	4.76	-59.77	3	5	1	60	250.322	4	↓ MOL2 SDF SMILES Flexibase

52885639

Analogs

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Popular Name: 1-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-methoxy-5-(methylaminometh…

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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)	1.04	5.48	-40.62	2	5	1	49	264.349	5	↓ MOL2 SDF SMILES Flexibase

52885640

Analogs

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Popular Name: 1-[[5-(ethylaminomethyl)-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(ethylaminomethyl)-2-metho…

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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)	1.42	6.34	-39.8	2	5	1	49	278.376	6	↓ MOL2 SDF SMILES Flexibase

52885641

Analogs

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Popular Name: 1-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[2-methoxy-5-(propylaminometh…

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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	7.09	-40.49	2	5	1	49	292.403	7	↓ MOL2 SDF SMILES Flexibase

52885642

Analogs

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Popular Name: 1-[[5-[(isopropylamino)methyl]-2-methoxy-phenyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-[(isopropylamino)methyl]-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)	1.71	8.04	-50.11	2	5	1	49	292.403	6	↓ MOL2 SDF SMILES Flexibase

52885808

Analogs

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Popular Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(4-chloro-3-nitro-phenyl)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)	2.06	7.25	-20.51	0	6	0	69	269.688	3	↓ MOL2 SDF SMILES Flexibase

52885809

Analogs

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Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-3-methyl-imidazolidin-2-one 1-[(2-chloro-5-nitro-phenyl)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)	2.06	6.98	-13.79	0	6	0	69	269.688	3	↓ MOL2 SDF SMILES Flexibase

52885818

Analogs

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Popular Name: 2-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzonitrile 2-[(3-methyl-2-oxo-imidazolidin-…

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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)	1.21	6.35	-17.84	0	4	0	47	215.256	2	↓ MOL2 SDF SMILES Flexibase

52885819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzonitrile 3-fluoro-4-[(3-methyl-2-oxo-imid…

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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)	1.34	6.57	-17.17	0	4	0	47	233.246	2	↓ MOL2 SDF SMILES Flexibase

52885820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzonitrile 4-fluoro-3-[(3-methyl-2-oxo-imid…

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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)	1.34	6.44	-12.52	0	4	0	47	233.246	2	↓ MOL2 SDF SMILES Flexibase

52885821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzonitrile 4-[(3-methyl-2-oxo-imidazolidin-…

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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)	1.25	6.56	-13.84	0	4	0	47	215.256	2	↓ MOL2 SDF SMILES Flexibase

52885822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzonitrile 3-[(3-methyl-2-oxo-imidazolidin-…

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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)	1.23	6.54	-16.68	0	4	0	47	215.256	2	↓ MOL2 SDF SMILES Flexibase

52885849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]benzenecarbothioamide 4-fluoro-3-[(3-methyl-2-oxo-imid…

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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)	1.39	5.28	-21.35	2	4	0	50	267.329	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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