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ZINC Item

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48453167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-fluoro-phenyl)-1-methyl-1-[(5-methylisoxazol-3-yl)methyl]urea 3-(2-bromo-4-fluoro-phenyl)-1-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)	2.94	6.85	-8.14	1	5	0	58	342.168	3	↓ MOL2 SDF SMILES Flexibase

57292477

Analogs

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Popular Name: 1-[(5-methylisoxazol-3-yl)methyl]-3-(2-nitrophenyl)urea 1-[(5-methylisoxazol-3-yl)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)	1.70	4.67	-12.64	2	8	0	113	276.252	4	↓ MOL2 SDF SMILES Flexibase

57292519

Analogs

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Popular Name: 1-(2,5-dichlorophenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2,5-dichlorophenyl)-3-[(5-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)	3.07	4.77	-9.79	2	5	0	67	300.145	3	↓ MOL2 SDF SMILES Flexibase

57292522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorophenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2,4-dichlorophenyl)-3-[(5-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)	3.07	4.75	-8.71	2	5	0	67	300.145	3	↓ MOL2 SDF SMILES Flexibase

57292525

Analogs

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Popular Name: 1-(4-iodo-2-methyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-iodo-2-methyl-phenyl)-3-[(5…

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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	5.58	-10.44	2	5	0	67	371.178	3	↓ MOL2 SDF SMILES Flexibase

57292528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dichlorophenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2,3-dichlorophenyl)-3-[(5-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)	3.05	4.71	-9.6	2	5	0	67	300.145	3	↓ MOL2 SDF SMILES Flexibase

57292531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-2-fluoro-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-chloro-2-fluoro-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)	2.56	4.23	-9.03	2	5	0	67	283.69	3	↓ MOL2 SDF SMILES Flexibase

57292541

Analogs

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Popular Name: 1-(3-isopropylphenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(3-isopropylphenyl)-3-[(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	5.52	-11.26	2	5	0	67	273.336	4	↓ MOL2 SDF SMILES Flexibase

57292542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dibromophenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2,5-dibromophenyl)-3-[(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	4.99	-9.53	2	5	0	67	389.047	3	↓ MOL2 SDF SMILES Flexibase

57292545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-iodo-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2-chloro-4-iodo-phenyl)-3-[(5…

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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)	3.48	5.33	-8.47	2	5	0	67	391.596	3	↓ MOL2 SDF SMILES Flexibase

57292546

Analogs

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Popular Name: 1-(4-fluoro-2-methoxy-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-fluoro-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)	1.94	3.07	-10.53	2	6	0	76	279.271	4	↓ MOL2 SDF SMILES Flexibase

57292547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methoxy-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(3-fluoro-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)	1.94	2.96	-15.67	2	6	0	76	279.271	4	↓ MOL2 SDF SMILES Flexibase

57292548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-bromo-2,6-dimethyl-phenyl)-…

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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	5.46	-10.46	2	5	0	67	338.205	3	↓ MOL2 SDF SMILES Flexibase

57292549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-methyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(5-bromo-2-methyl-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)	2.98	5.13	-12.2	2	5	0	67	324.178	3	↓ MOL2 SDF SMILES Flexibase

57292552

Analogs

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Popular Name: 1-(2-ethylsulfanylphenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2-ethylsulfanylphenyl)-3-[(5-…

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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	5.59	-10.65	2	5	0	67	291.376	5	↓ MOL2 SDF SMILES Flexibase

57292553

Analogs

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Popular Name: 1-(3-ethoxyphenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(3-ethoxyphenyl)-3-[(5-methyli…

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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	3.79	-11.54	2	6	0	76	275.308	5	↓ MOL2 SDF SMILES Flexibase

57292555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxy-3-methyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-methoxy-3-methyl-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)	2.22	3.61	-12.5	2	6	0	76	275.308	4	↓ MOL2 SDF SMILES Flexibase

57292556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-methoxy-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(5-bromo-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)	2.58	3.63	-11.61	2	6	0	76	340.177	4	↓ MOL2 SDF SMILES Flexibase

57292557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxy-4-methyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2-methoxy-4-methyl-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)	2.22	3.67	-11.27	2	6	0	76	275.308	4	↓ MOL2 SDF SMILES Flexibase

57292560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]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)	2.43	3.67	-9.94	2	6	0	76	295.726	4	↓ MOL2 SDF SMILES Flexibase

62824859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-iodo-2-[(5-methylisoxazol-3-yl)methylcarbamoylamino]benzoic 5-iodo-2-[(5-methylisoxazol-3-yl…

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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)	2.89	5.63	-46.78	2	7	-1	107	400.152	4	↓ MOL2 SDF SMILES Flexibase

62827331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[(5-methylisoxazol-3-yl)methylcarbamoylamino]benzoic 3-bromo-2-[(5-methylisoxazol-3-y…

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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	5.09	-50.79	2	7	-1	107	353.152	4	↓ MOL2 SDF SMILES Flexibase

66683694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-methyl-4-[[methyl-[(5-methylisoxazol-3-yl)methyl]carbamoyl]amino]benzamide N-isopropyl-2-methyl-4-[[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)	2.28	6.61	-24.69	2	7	0	87	344.415	5	↓ MOL2 SDF SMILES Flexibase

63009545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(5-methylisoxazol-3-yl)methylcarbamoylamino]benzoic 3-fluoro-4-[(5-methylisoxazol-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)	1.79	4.26	-50.79	2	7	-1	107	292.246	4	↓ MOL2 SDF SMILES Flexibase

69570580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-tert-butylsulfanyl-2-methyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-tert-butylsulfanyl-2-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	7.54	-11.19	2	5	0	67	333.457	5	↓ MOL2 SDF SMILES Flexibase

65606628

Analogs

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Popular Name: N-(1,1-dimethylpropyl)-4-[(5-methylisoxazol-3-yl)methylcarbamoylamino]benzamide N-(1,1-dimethylpropyl)-4-[(5-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)	2.67	4.55	-14.04	3	7	0	96	344.415	6	↓ MOL2 SDF SMILES Flexibase

65607382

Analogs

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Popular Name: 1-[(5-methylisoxazol-3-yl)methyl]-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea 1-[(5-methylisoxazol-3-yl)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)	2.72	4.4	-12.78	2	6	0	76	329.278	6	↓ MOL2 SDF SMILES Flexibase

49264718

Analogs

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Popular Name: 1-(4-bromo-2-chloro-6-methyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(4-bromo-2-chloro-6-methyl-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)	3.58	5.92	-10.19	2	5	0	67	358.623	3	↓ MOL2 SDF SMILES Flexibase

49359810

Analogs

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Popular Name: 1-(5-chloro-2-methylsulfanyl-phenyl)-3-[(5-methylisoxazol-3-yl)methyl]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)	2.83	5.27	-11.22	2	5	0	67	311.794	4	↓ MOL2 SDF SMILES Flexibase

41638935

Analogs

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Popular Name: 3-(3-acetylphenyl)-1-methyl-1-[(5-methylisoxazol-3-yl)methyl]urea 3-(3-acetylphenyl)-1-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)	1.91	6.51	-18.86	1	6	0	75	287.319	4	↓ MOL2 SDF SMILES Flexibase

67562300

Analogs

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Popular Name: 1-[(5-methylisoxazol-3-yl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea 1-[(5-methylisoxazol-3-yl)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)	2.77	4.28	-12.73	2	6	0	76	329.278	6	↓ MOL2 SDF SMILES Flexibase

67563696

Analogs

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Popular Name: N-[4-fluoro-3-[(5-methylisoxazol-3-yl)methylcarbamoylamino]phenyl]acetamide N-[4-fluoro-3-[(5-methylisoxazol…

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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)	1.10	2.62	-13.91	3	7	0	96	306.297	4	↓ MOL2 SDF SMILES Flexibase

49414621

Analogs

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Popular Name: 1-(2,3-difluorophenyl)-3-[(5-methylisoxazol-3-yl)methyl]urea 1-(2,3-difluorophenyl)-3-[(5-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)	2.02	3.77	-10.81	2	5	0	67	267.235	3	↓ MOL2 SDF SMILES Flexibase

49414783

Analogs

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Popular Name: 3-(2,3-difluorophenyl)-1-methyl-1-[(5-methylisoxazol-3-yl)methyl]urea 3-(2,3-difluorophenyl)-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)	2.27	6.17	-9.88	1	5	0	58	281.262	3	↓ MOL2 SDF SMILES Flexibase

67566775

Analogs

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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)	2.34	5.14	-13.29	2	7	0	93	303.318	5	↓ MOL2 SDF SMILES Flexibase

67583582

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Popular Name: 1-[(5-methylisoxazol-3-yl)methyl]-3-(5-methyl-2-methylsulfonyl-phenyl)urea 1-[(5-methylisoxazol-3-yl)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)	1.47	2.49	-15.89	2	7	0	101	323.374	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3482
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 = 3482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=3482&filter.purchasability=annotated

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<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": "3482"        

    });
</script>

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