ZINC 12

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ZINC Item

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35626042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1S)-1-hydroxypropyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1S)-1-hydroxypropyl]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)	1.21	2.65	-11.25	2	5	0	62	264.325	6	↓ MOL2 SDF SMILES Flexibase

35626044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1R)-1-hydroxypropyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1R)-1-hydroxypropyl]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)	1.21	2.7	-11.2	2	5	0	62	264.325	6	↓ MOL2 SDF SMILES Flexibase

35626413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(1S)-1-hydroxyethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(1S)-1-hydroxyethyl]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)	0.75	1.68	-11.92	2	5	0	62	250.298	5	↓ MOL2 SDF SMILES Flexibase

35626414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(1R)-1-hydroxyethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(1R)-1-hydroxyethyl]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)	0.75	1.64	-11.81	2	5	0	62	250.298	5	↓ MOL2 SDF SMILES Flexibase

35626711

Analogs

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Popular Name: 1-[2-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(1S)-1-hydroxyethyl]-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)	0.34	1.57	-13.63	2	6	0	71	280.324	6	↓ MOL2 SDF SMILES Flexibase

35626712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(1R)-1-hydroxyethyl]-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)	0.34	1.53	-13.74	2	6	0	71	280.324	6	↓ MOL2 SDF SMILES Flexibase

35627174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1S)-1-hydroxyethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1S)-1-hydroxyethyl]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)	0.70	1.72	-12.05	2	5	0	62	250.298	5	↓ MOL2 SDF SMILES Flexibase

35627175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1R)-1-hydroxyethyl]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)	0.70	1.78	-12.12	2	5	0	62	250.298	5	↓ MOL2 SDF SMILES Flexibase

35627482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(3S)-3-hydroxybutyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(3S)-3-hydroxybutyl]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)	1.62	3.21	-12.12	2	5	0	62	278.352	7	↓ MOL2 SDF SMILES Flexibase

35627483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(3R)-3-hydroxybutyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(3R)-3-hydroxybutyl]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)	1.62	3.21	-11.55	2	5	0	62	278.352	7	↓ MOL2 SDF SMILES Flexibase

35627885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[3-[(1S)-1-hydroxyethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[3-[(1S)-1-hydroxyethyl]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)	0.73	1.69	-12.18	2	5	0	62	250.298	5	↓ MOL2 SDF SMILES Flexibase

35627886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[3-[(1R)-1-hydroxyethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[3-[(1R)-1-hydroxyethyl]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)	0.73	1.65	-12.27	2	5	0	62	250.298	5	↓ MOL2 SDF SMILES Flexibase

35628411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(1S)-1-hydroxypropyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(1S)-1-hydroxypropyl]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)	1.25	2.61	-11.59	2	5	0	62	264.325	6	↓ MOL2 SDF SMILES Flexibase

35628412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-[(1R)-1-hydroxypropyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-[(1R)-1-hydroxypropyl]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)	1.25	2.57	-11.54	2	5	0	62	264.325	6	↓ MOL2 SDF SMILES Flexibase

35629108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-acetyl-4-methyl-phenoxy)ethyl]imidazolidin-2-one 1-[2-(2-acetyl-4-methyl-phenoxy)…

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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)	1.46	5.76	-12.96	1	5	0	59	262.309	5	↓ MOL2 SDF SMILES Flexibase

35629150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-(N-hydroxy-C-methyl-carb…

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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)	1.53	2.96	-12.46	2	6	0	74	277.324	5	↓ MOL2 SDF SMILES Flexibase

35629400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1R)-1-aminoethyl]-4-me…

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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	3.02	-55.15	4	5	1	69	264.349	5	↓ MOL2 SDF SMILES Flexibase

35629401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1S)-1-aminoethyl]-4-me…

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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	2.94	-55.34	4	5	1	69	264.349	5	↓ MOL2 SDF SMILES Flexibase

35629584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-methyl-2-[(1R)-1-(methylamino)ethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-methyl-2-[(1R)-1-(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)	1.68	4.84	-49.62	3	5	1	58	278.376	6	↓ MOL2 SDF SMILES Flexibase

35629585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-methyl-2-[(1S)-1-(methylamino)ethyl]phenoxy]ethyl]imidazolidin-2-one 1-[2-[4-methyl-2-[(1S)-1-(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)	1.68	4.75	-49.68	3	5	1	58	278.376	6	↓ MOL2 SDF SMILES Flexibase

35629730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1S)-1-(ethylamino)ethyl]-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1S)-1-(ethylamino)ethy…

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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	5.59	-48.12	3	5	1	58	292.403	7	↓ MOL2 SDF SMILES Flexibase

35629731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1R)-1-(ethylamino)ethyl]-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1R)-1-(ethylamino)ethy…

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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	5.67	-48.05	3	5	1	58	292.403	7	↓ MOL2 SDF SMILES Flexibase

35630452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1R)-1-hydroxyethyl]-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)	1.13	2.45	-12.19	2	5	0	62	264.325	5	↓ MOL2 SDF SMILES Flexibase

35630453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]ethyl]imidazolidin-2-one 1-[2-[2-[(1S)-1-hydroxyethyl]-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)	1.13	2.39	-12.17	2	5	0	62	264.325	5	↓ MOL2 SDF SMILES Flexibase

52885403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-aminophenoxy)ethyl]-3-methyl-imidazolidin-2-one 1-[2-(4-aminophenoxy)ethyl]-3-me…

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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)	0.86	3.63	-15.83	2	5	0	59	235.287	4	↓ MOL2 SDF SMILES Flexibase

52885408

Analogs

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Popular Name: 1-[2-(3-aminophenoxy)ethyl]-3-methyl-imidazolidin-2-one 1-[2-(3-aminophenoxy)ethyl]-3-me…

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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)	0.83	3.64	-16.09	2	5	0	59	235.287	4	↓ MOL2 SDF SMILES Flexibase

52885471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[2-(aminomethyl)phenoxy]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)	0.92	3.85	-37.11	3	5	1	60	250.322	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.92	3.43	-14.62	2	5	0	59	249.314	5	↓ MOL2 SDF SMILES Flexibase

52885472

Analogs

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Popular Name: 1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[4-(aminomethyl)phenoxy]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)	0.96	3.8	-57.14	3	5	1	60	250.322	5	↓ MOL2 SDF SMILES Flexibase

52885483

Analogs

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Popular Name: 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[4-(2-aminoethyl)phenoxy]et…

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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)	0.76	4.58	-58.36	3	5	1	60	264.349	6	↓ MOL2 SDF SMILES Flexibase

52885506

Analogs

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Popular Name: 4-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzoic 4-[2-(3-methyl-2-oxo-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)	1.69	6.33	-59.58	0	6	-1	73	263.273	5	↓ MOL2 SDF SMILES Flexibase

52885507

Analogs

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Popular Name: 3-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzoic 3-[2-(3-methyl-2-oxo-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)	1.67	6.33	-69.21	0	6	-1	73	263.273	5	↓ MOL2 SDF SMILES Flexibase

52885508

Analogs

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Popular Name: 2-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzoic 2-[2-(3-methyl-2-oxo-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)	1.73	7.62	-76.49	0	6	-1	73	263.273	5	↓ MOL2 SDF SMILES Flexibase

52885834

Analogs

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Popular Name: 3-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzonitrile 3-[2-(3-methyl-2-oxo-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)	1.51	6.15	-18.44	0	5	0	57	245.282	4	↓ MOL2 SDF SMILES Flexibase

52885835

Analogs

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Popular Name: 4-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzonitrile 4-[2-(3-methyl-2-oxo-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)	1.54	6.16	-16.35	0	5	0	57	245.282	4	↓ MOL2 SDF SMILES Flexibase

52885836

Analogs

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Popular Name: 2-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzonitrile 2-[2-(3-methyl-2-oxo-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)	1.49	6.18	-22.53	0	5	0	57	245.282	4	↓ MOL2 SDF SMILES Flexibase

52885842

Analogs

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Popular Name: 2-[4-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]phenyl]acetonitrile 2-[4-[2-(3-methyl-2-oxo-imidazol…

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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)	1.75	6.93	-20.42	0	5	0	57	259.309	5	↓ MOL2 SDF SMILES Flexibase

52885862

Analogs

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Popular Name: 2-[4-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]phenyl]thioacetamide 2-[4-[2-(3-methyl-2-oxo-imidazol…

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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)	0.88	5.55	-22.99	2	5	0	59	293.392	6	↓ MOL2 SDF SMILES Flexibase

52885865

Analogs

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Popular Name: 4-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzenecarbothioamide 4-[2-(3-methyl-2-oxo-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)	1.58	5	-21.45	2	5	0	59	279.365	5	↓ MOL2 SDF SMILES Flexibase

52885866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzenecarbothioamide 3-[2-(3-methyl-2-oxo-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)	1.56	4.98	-28.61	2	5	0	59	279.365	5	↓ MOL2 SDF SMILES Flexibase

52885867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]benzenecarbothioamide 2-[2-(3-methyl-2-oxo-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)	1.53	5.33	-22.29	2	5	0	59	279.365	5	↓ MOL2 SDF SMILES Flexibase

52885938

Analogs

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Popular Name: 1-[2-(2-acetylphenoxy)ethyl]-3-methyl-imidazolidin-2-one 1-[2-(2-acetylphenoxy)ethyl]-3-m…

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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)	1.63	7.52	-14.07	0	5	0	50	262.309	5	↓ MOL2 SDF SMILES Flexibase

52886187

Analogs

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Popular Name: 1-[2-(3-bromophenoxy)ethyl]-3-methyl-imidazolidin-2-one 1-[2-(3-bromophenoxy)ethyl]-3-me…

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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)	2.57	6.38	-15.86	0	4	0	33	299.168	4	↓ MOL2 SDF SMILES Flexibase

52886188

Analogs

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Popular Name: 1-[2-(4-bromophenoxy)ethyl]-3-methyl-imidazolidin-2-one 1-[2-(4-bromophenoxy)ethyl]-3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.38	-14.1	0	4	0	33	299.168	4	↓ MOL2 SDF SMILES Flexibase

52886197

Analogs

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Popular Name: 1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[4-(3-aminoprop-1-ynyl)phen…

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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)	0.78	5.28	-58.92	3	5	1	60	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.78	4.87	-16.44	2	5	0	59	273.336	4	↓ MOL2 SDF SMILES Flexibase

52886202

Analogs

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Popular Name: 1-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[3-(3-aminoprop-1-ynyl)phen…

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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)	0.76	5.28	-56.06	3	5	1	60	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.76	4.87	-18.81	2	5	0	59	273.336	4	↓ MOL2 SDF SMILES Flexibase

52886212

Analogs

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Popular Name: 1-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[3-(4-hydroxybut-1-ynyl)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)	1.60	5.34	-19.14	1	5	0	53	288.347	5	↓ MOL2 SDF SMILES Flexibase

52886213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[4-(4-hydroxybut-1-ynyl)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)	1.62	5.35	-17.06	1	5	0	53	288.347	5	↓ MOL2 SDF SMILES Flexibase

52886219

Analogs

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Popular Name: 1-[2-[3-(3-hydroxyprop-1-ynyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[3-(3-hydroxyprop-1-ynyl)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)	1.32	4.57	-21.61	1	5	0	53	274.32	4	↓ MOL2 SDF SMILES Flexibase

52886220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(3-hydroxyprop-1-ynyl)phenoxy]ethyl]-3-methyl-imidazolidin-2-one 1-[2-[4-(3-hydroxyprop-1-ynyl)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)	1.35	4.57	-18.75	1	5	0	53	274.32	4	↓ MOL2 SDF SMILES Flexibase

52886237

Analogs

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Popular Name: (E)-3-[3-[2-(3-methyl-2-oxo-imidazolidin-1-yl)ethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-(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)	1.73	7.61	-64.17	0	6	-1	73	289.311	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 18948
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 = 18948 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18948&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": "18948"        

    });
</script>

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