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ZINC Item

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5562424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenyl)-1-(3-methyl-1,1-dioxo-thiolan-3-yl)-urea 3-(3-bromophenyl)-1-(3-methyl-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)	2.20	-6.98	-13.38	2	5	0	75	347.234	2	↓ MOL2 SDF SMILES Flexibase

48452018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-fluoro-phenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2-bromo-4-fluoro-phenyl)-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)	2.11	3.83	-16.17	1	5	0	66	365.224	2	↓ MOL2 SDF SMILES Flexibase

48452020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-fluoro-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2-bromo-4-fluoro-phenyl)-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)	2.11	3.84	-14.8	1	5	0	66	365.224	2	↓ MOL2 SDF SMILES Flexibase

21548854

Analogs

40166736
40166737
40166738
40166739
40166864

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-hydroxy-5-nitro-phenyl)urea 3-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.63	-1.07	-24.03	3	9	0	141	315.307	3	↓ MOL2 SDF SMILES Flexibase

21548855

Analogs

40166736
40166737
40166738
40166739
40166864

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-hydroxy-5-nitro-phenyl)urea 3-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.63	-1.05	-22.75	3	9	0	141	315.307	3	↓ MOL2 SDF SMILES Flexibase

62462567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(2-chloro-4-methoxy-phenyl)-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)	1.63	0.87	-15.63	2	6	0	85	318.782	3	↓ MOL2 SDF SMILES Flexibase

36870489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-aminophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-aminophenyl)-1-[(3R)-1,1-di…

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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)	0.29	0.86	-19.26	3	6	0	93	283.353	2	↓ MOL2 SDF SMILES Flexibase

36870490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-aminophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-aminophenyl)-1-[(3S)-1,1-di…

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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)	0.29	0.87	-17.92	3	6	0	93	283.353	2	↓ MOL2 SDF SMILES Flexibase

36870493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-aminophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(3-aminophenyl)-1-[(3R)-1,1-di…

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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)	0.26	0.86	-19.17	3	6	0	93	283.353	2	↓ MOL2 SDF SMILES Flexibase

36870494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-aminophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(3-aminophenyl)-1-[(3S)-1,1-di…

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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)	0.26	0.87	-17.79	3	6	0	93	283.353	2	↓ MOL2 SDF SMILES Flexibase

36870558

Analogs

44881532

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(aminomethyl)phenyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[4-(aminomethyl)phenyl]-1-[(3R…

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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)	0.39	1.02	-59.31	4	6	1	94	298.388	3	↓ MOL2 SDF SMILES Flexibase

36870559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(aminomethyl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[4-(aminomethyl)phenyl]-1-[(3S…

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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)	0.39	1.03	-58.9	4	6	1	94	298.388	3	↓ MOL2 SDF SMILES Flexibase

36870560

Analogs

44881541

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(aminomethyl)phenyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[3-(aminomethyl)phenyl]-1-[(3R…

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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)	0.37	1.02	-65.41	4	6	1	94	298.388	3	↓ MOL2 SDF SMILES Flexibase

36870561

Analogs

44881541

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(aminomethyl)phenyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-[3-(aminomethyl)phenyl]-1-[(3S…

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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)	0.37	1.03	-64.46	4	6	1	94	298.388	3	↓ MOL2 SDF SMILES Flexibase

58551823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(dimethylamino)-2-methyl-phenyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-[4-(dimethylamino)-2-methyl-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)	1.44	2.27	-17.74	2	6	0	79	311.407	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.44	3.06	-86.37	3	6	0	80	312.415	3	↓ MOL2 SDF SMILES Flexibase

61500491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-isopropoxyphenyl)urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	1.71	1.94	-15.95	2	6	0	85	312.391	4	↓ MOL2 SDF SMILES Flexibase

5027890

Analogs

40167136
40167138

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,1-dioxothiolan-3-yl)-1-(3-nitrophenyl)-urea 3-(1,1-dioxothiolan-3-yl)-1-(3-n…

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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)	0.90	1.69	-26.03	2	8	0	121	299.308	3	↓ MOL2 SDF SMILES Flexibase

5027891

Analogs

40167136
40167138

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,1-dioxothiolan-3-yl)-1-(3-nitrophenyl)-urea 3-(1,1-dioxothiolan-3-yl)-1-(3-n…

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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)	0.90	1.67	-18.76	2	8	0	121	299.308	3	↓ MOL2 SDF SMILES Flexibase

62824605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-5-iodo-benzoic 2-[[(3R)-1,1-dioxothiolan-3-yl]c…

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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)	2.07	2.98	-47.78	2	7	-1	115	423.208	3	↓ MOL2 SDF SMILES Flexibase

62824606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-5-iodo-benzoic 2-[[(3S)-1,1-dioxothiolan-3-yl]c…

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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)	2.07	2.96	-48.06	2	7	-1	115	423.208	3	↓ MOL2 SDF SMILES Flexibase

62827049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoic 3-bromo-2-[[(3R)-1,1-dioxothiola…

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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)	1.77	2.44	-50.4	2	7	-1	115	376.208	3	↓ MOL2 SDF SMILES Flexibase

62827050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzoic 3-bromo-2-[[(3S)-1,1-dioxothiola…

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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)	1.77	2.56	-53.2	2	7	-1	115	376.208	3	↓ MOL2 SDF SMILES Flexibase

63009171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-3-fluoro-benzoic 4-[[(3R)-1,1-dioxothiolan-3-yl]c…

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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)	0.97	1.65	-56.79	2	7	-1	115	315.302	3	↓ MOL2 SDF SMILES Flexibase

63009172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-3-fluoro-benzoic 4-[[(3S)-1,1-dioxothiolan-3-yl]c…

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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)	0.97	1.65	-56.3	2	7	-1	115	315.302	3	↓ MOL2 SDF SMILES Flexibase

65590463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-ethoxy-2-methyl-phenyl)urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	1.77	2.09	-18.42	2	6	0	85	312.391	4	↓ MOL2 SDF SMILES Flexibase

65590466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-ethoxy-2-methyl-phenyl)urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	1.77	2.1	-17.69	2	6	0	85	312.391	4	↓ MOL2 SDF SMILES Flexibase

69808853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(difluoromethoxy)-2-methyl-phenyl]-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-[3-(difluoromethoxy)-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)	1.93	1.48	-20.07	2	6	0	85	334.344	4	↓ MOL2 SDF SMILES Flexibase

69808854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(difluoromethoxy)-2-methyl-phenyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-[3-(difluoromethoxy)-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)	1.93	1.48	-19.32	2	6	0	85	334.344	4	↓ MOL2 SDF SMILES Flexibase

69846590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-fluoro-4-isopropoxy-phenyl)urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	1.85	1.97	-16.13	2	6	0	85	330.381	4	↓ MOL2 SDF SMILES Flexibase

69846592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-fluoro-4-isopropoxy-phenyl)urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	1.85	2	-15.63	2	6	0	85	330.381	4	↓ MOL2 SDF SMILES Flexibase

48955239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(3-chloro-2-methoxy-phenyl)-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)	1.60	1.04	-16.29	2	6	0	85	318.782	3	↓ MOL2 SDF SMILES Flexibase

48955240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(3-chloro-2-methoxy-phenyl)-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)	1.60	1.06	-15.82	2	6	0	85	318.782	3	↓ MOL2 SDF SMILES Flexibase

49359606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methylsulfanyl-phenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(5-chloro-2-methylsulfanyl-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)	2.00	2.65	-17.33	2	5	0	75	334.85	3	↓ MOL2 SDF SMILES Flexibase

49359610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methylsulfanyl-phenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(5-chloro-2-methylsulfanyl-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)	2.00	2.63	-16.53	2	5	0	75	334.85	3	↓ MOL2 SDF SMILES Flexibase

41637541

Analogs

41703369
41703371

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-acetylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-acetylphenyl)-1-[(3R)-1,1-d…

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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)	1.11	3.47	-25.64	1	6	0	84	310.375	3	↓ MOL2 SDF SMILES Flexibase

41637544

Analogs

41703369
41703371

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-acetylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(4-acetylphenyl)-1-[(3S)-1,1-d…

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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)	1.11	3.49	-23.97	1	6	0	84	310.375	3	↓ MOL2 SDF SMILES Flexibase

49415060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,3-difluorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2,3-difluorophenyl)-1-[(3R)-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)	1.44	3.15	-17.61	1	5	0	66	304.318	2	↓ MOL2 SDF SMILES Flexibase

49415062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,3-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-urea 3-(2,3-difluorophenyl)-1-[(3S)-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)	1.44	3.16	-16.11	1	5	0	66	304.318	2	↓ MOL2 SDF SMILES Flexibase

49415064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea 1-(2,3-difluorophenyl)-3-[(3R)-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)	1.20	1.15	-16.54	2	5	0	75	290.291	2	↓ MOL2 SDF SMILES Flexibase

49415066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea 1-(2,3-difluorophenyl)-3-[(3S)-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)	1.20	1.14	-16.08	2	5	0	75	290.291	2	↓ MOL2 SDF SMILES Flexibase

41706258

Analogs

43333454
43333455
48473722
48473724
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.51	-0.87	-18.99	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706261

Analogs

43333454
43333455
48473722
48473724
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.51	-0.9	-19.52	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706264

Analogs

43333454
43333455
48473722
48473724
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.51	-0.85	-18.33	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706268

Analogs

43333454
43333455
48473722
48473724
48475460

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.51	-0.88	-18.74	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706271

Analogs

48469610
48469611
48470486
48470488
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.53	-0.73	-18.74	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706274

Analogs

48469610
48469611
48470486
48470488
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.53	-0.78	-18.92	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706277

Analogs

48469610
48469611
48470486
48470488
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.53	-0.75	-18.27	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41706280

Analogs

48469610
48469611
48470486
48470488
48470490

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]urea 1-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.53	-0.8	-17.99	3	6	0	95	298.364	3	↓ MOL2 SDF SMILES Flexibase

41707066

Analogs

43333454
43333455
48473722
48473724

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.75	1.13	-19.86	2	6	0	87	312.391	3	↓ MOL2 SDF SMILES Flexibase

41707069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.75	1.11	-20.6	2	6	0	87	312.391	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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