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ZINC Item

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49377914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.16	9.72	-22.32	0	7	0	62	395.459	5	↓ MOL2 SDF SMILES Flexibase

49377916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(6-methoxy-3,4-dihydro-1H-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	9.82	-20.48	0	6	0	53	365.433	4	↓ MOL2 SDF SMILES Flexibase

49378067

Analogs

34625880

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.54	10.52	-20.19	0	5	0	44	335.407	3	↓ MOL2 SDF SMILES Flexibase

49378832

Analogs

34932937

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.61	10.4	-24.1	0	7	0	62	409.486	5	↓ MOL2 SDF SMILES Flexibase

49378835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(6-methoxy-3,4-dihydro-1H-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	10.5	-22.26	0	6	0	53	379.46	4	↓ MOL2 SDF SMILES Flexibase

49379068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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	11.22	-20.25	0	5	0	44	349.434	3	↓ MOL2 SDF SMILES Flexibase

49379897

Analogs

34934415
34934417

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Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-o 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.33	9.79	-21.93	0	7	0	62	413.449	5	↓ MOL2 SDF SMILES Flexibase

49379899

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-fluorophenyl)-3-[2-(6-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)	2.74	9.89	-19.97	0	6	0	53	383.423	4	↓ MOL2 SDF SMILES Flexibase

49380133

Analogs

34972562

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.70	10.59	-18.24	0	5	0	44	353.397	3	↓ MOL2 SDF SMILES Flexibase

49380841

Analogs

34932931
34932936

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-o 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.28	10.07	-22.77	0	7	0	62	413.449	5	↓ MOL2 SDF SMILES Flexibase

49380843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-fluorophenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(2-fluorophenyl)-3-[2-(6-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)	2.69	10.17	-20.85	0	6	0	53	383.423	4	↓ MOL2 SDF SMILES Flexibase

49381003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.65	10.88	-19.22	0	5	0	44	353.397	3	↓ MOL2 SDF SMILES Flexibase

49381538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-o 1-(3-chlorophenyl)-3-[2-(6,7-dim…

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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	10.24	-20.28	0	7	0	62	429.904	5	↓ MOL2 SDF SMILES Flexibase

49381687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-(3,4-dih…

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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)	3.19	11.05	-16.49	0	5	0	44	369.852	3	↓ MOL2 SDF SMILES Flexibase

49382201

Analogs

34934424
34934426

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-o 1-(4-chlorophenyl)-3-[2-(6,7-dim…

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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	10.24	-21.45	0	7	0	62	429.904	5	↓ MOL2 SDF SMILES Flexibase

49382203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(6-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)	3.25	10.34	-19.49	0	6	0	53	399.878	4	↓ MOL2 SDF SMILES Flexibase

49382348

Analogs

34972650

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(3,4-dih…

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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)	3.22	11.04	-17.78	0	5	0	44	369.852	3	↓ MOL2 SDF SMILES Flexibase

49382886

Analogs

34929823
34929824
34934415
34934417

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin 1-(3,4-difluorophenyl)-3-[2-(6,7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	9.85	-20.65	0	7	0	62	431.439	5	↓ MOL2 SDF SMILES Flexibase

49382888

Analogs

34934415
34934417

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-o 1-(3,4-difluorophenyl)-3-[2-(6-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)	2.83	9.94	-18.69	0	6	0	53	401.413	4	↓ MOL2 SDF SMILES Flexibase

49383637

Analogs

33761833

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2- 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.22	9.02	-24.4	0	8	0	72	425.485	6	↓ MOL2 SDF SMILES Flexibase

49383641

Analogs

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Popular Name: 1-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(6-methoxy-3,4-dihydro-1H-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	9.12	-22.58	0	7	0	62	395.459	5	↓ MOL2 SDF SMILES Flexibase

49383867

Analogs

34845489

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.60	9.83	-20.54	0	6	0	53	365.433	4	↓ MOL2 SDF SMILES Flexibase

49384701

Analogs

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Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2- 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.17	9.37	-25.37	0	8	0	72	425.485	6	↓ MOL2 SDF SMILES Flexibase

49384704

Analogs

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Popular Name: 1-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-one 1-[2-(6-methoxy-3,4-dihydro-1H-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	9.47	-21.76	0	7	0	62	395.459	5	↓ MOL2 SDF SMILES Flexibase

49384924

Analogs

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Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2-methoxyphenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.55	10.17	-21.59	0	6	0	53	365.433	4	↓ MOL2 SDF SMILES Flexibase

49385718

Analogs

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Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-o 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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	9.94	-24.24	0	8	0	72	439.512	7	↓ MOL2 SDF SMILES Flexibase

49385721

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-ethoxyphenyl)-3-[2-(6-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)	3.00	10.04	-22.38	0	7	0	62	409.486	6	↓ MOL2 SDF SMILES Flexibase

49385951

Analogs

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Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.97	10.74	-20.38	0	6	0	53	379.46	5	↓ MOL2 SDF SMILES Flexibase

49386775

Analogs

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Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidi 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	1.81	8.93	-26.21	0	9	0	81	455.511	7	↓ MOL2 SDF SMILES Flexibase

49386778

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2- 1-(3,4-dimethoxyphenyl)-3-[2-(6-…

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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)	2.22	9.02	-22.6	0	8	0	72	425.485	6	↓ MOL2 SDF SMILES Flexibase

49387006

Analogs

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Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.19	9.75	-22.29	0	7	0	62	395.459	5	↓ MOL2 SDF SMILES Flexibase

49391057

Analogs

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Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidi 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	2.20	8.66	-27.3	0	9	0	81	455.511	7	↓ MOL2 SDF SMILES Flexibase

49391061

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2- 1-(2,5-dimethoxyphenyl)-3-[2-(6-…

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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)	2.61	8.76	-23.68	0	8	0	72	425.485	6	↓ MOL2 SDF SMILES Flexibase

49391388

Analogs

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Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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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)	2.58	9.46	-23.6	0	7	0	62	395.459	5	↓ MOL2 SDF SMILES Flexibase

49403354

Analogs

33761833
34932937

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Popular Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin- 1-[2-(6,7-dimethoxy-3,4-dihydro-…

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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)	3.67	11.66	-23.72	0	7	0	62	437.54	6	↓ MOL2 SDF SMILES Flexibase

49403357

Analogs

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Popular Name: 1-(4-isopropylphenyl)-3-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]imidazolidin-2-on 1-(4-isopropylphenyl)-3-[2-(6-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)	4.08	11.74	-21.87	0	6	0	53	407.514	5	↓ MOL2 SDF SMILES Flexibase

49403569

Analogs

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Popular Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin-2-one 1-[2-(3,4-dihydro-1H-isoquinolin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	12.44	-19.88	0	5	0	44	377.488	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 558237
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 = 558237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=558237&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": "558237"        

    });
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