ZINC 12

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ZINC Item

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52885387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-amino-2,6-dichloro-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)	1.56	4.06	-18.15	3	6	0	79	317.176	3	↓ MOL2 SDF SMILES Flexibase

52885413

Analogs

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Popular Name: N-(3-amino-4-methyl-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-amino-4-methyl-phenyl)-2-(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)	1.13	3.43	-19.05	3	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methyl-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-4-methyl-phenyl)-2-(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)	1.13	3.62	-18.88	3	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885415

Analogs

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Popular Name: N-(4-amino-2-bromo-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-amino-2-bromo-phenyl)-2-(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)	1.08	3.43	-16.32	3	6	0	79	327.182	3	↓ MOL2 SDF SMILES Flexibase

52885418

Analogs

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Popular Name: N-(2-amino-5-fluoro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-5-fluoro-phenyl)-2-(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)	0.84	3.01	-20.54	3	6	0	79	266.276	3	↓ MOL2 SDF SMILES Flexibase

52885419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-chloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(5-amino-2-chloro-phenyl)-2-(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)	0.95	3.3	-16.39	3	6	0	79	282.731	3	↓ MOL2 SDF SMILES Flexibase

52885420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-aminophenyl)-N-methyl-2-(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)	0.22	4.35	-19.76	2	6	0	70	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885421

Analogs

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Popular Name: N-(2-amino-6-methyl-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-6-methyl-phenyl)-2-(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)	1.11	3.61	-18.65	3	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885428

Analogs

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Popular Name: N-(4-amino-2-methoxy-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-amino-2-methoxy-phenyl)-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)	0.33	2.07	-18.68	3	7	0	88	278.312	4	↓ MOL2 SDF SMILES Flexibase

52885430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-aminophenyl)-2-(3-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	2.66	-19.24	3	6	0	79	248.286	3	↓ MOL2 SDF SMILES Flexibase

52885431

Analogs

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Popular Name: N-(3-amino-4-chloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-amino-4-chloro-phenyl)-2-(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)	1.36	3.25	-18	3	6	0	79	282.731	3	↓ MOL2 SDF SMILES Flexibase

52885432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-aminophenyl)-2-(3-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	2.95	-18.6	3	6	0	79	248.286	3	↓ MOL2 SDF SMILES Flexibase

52885433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-amino-2-chloro-phenyl)-2-(3…

Find On: PubMed — Wikipedia — Google

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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)	0.95	3.29	-16.44	3	6	0	79	282.731	3	↓ MOL2 SDF SMILES Flexibase

52885434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(5-amino-2-methyl-phenyl)-2-(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)	0.72	3.56	-19.01	3	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-amino-2-methyl-phenyl)-2-(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)	0.72	3.55	-19.53	3	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885436

Analogs

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-4-fluoro-phenyl)-2-(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)	0.84	3.02	-18.53	3	6	0	79	266.276	3	↓ MOL2 SDF SMILES Flexibase

52885437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-5-chloro-phenyl)-2-(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)	1.36	3.46	-19.35	3	6	0	79	282.731	3	↓ MOL2 SDF SMILES Flexibase

52885439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-amino-2-methyl-phenyl)-2-(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)	1.11	3.66	-19.73	3	6	0	79	262.313	3	↓ MOL2 SDF SMILES Flexibase

52885447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methoxy-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(5-amino-2-methoxy-phenyl)-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.33	2.06	-18.21	3	7	0	88	278.312	4	↓ MOL2 SDF SMILES Flexibase

52885448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(5-amino-2-fluoro-phenyl)-2-(3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.44	2.77	-16.92	3	6	0	79	266.276	3	↓ MOL2 SDF SMILES Flexibase

52885450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-amino-4-fluoro-phenyl)-2-(3…

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Activity (Go SEA)

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)	0.84	2.75	-18.63	3	6	0	79	266.276	3	↓ MOL2 SDF SMILES Flexibase

52885451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methoxy-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-4-methoxy-phenyl)-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)	0.74	2.23	-19.47	3	7	0	88	278.312	4	↓ MOL2 SDF SMILES Flexibase

52885456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-4,6-dichloro-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)	1.97	4.19	-19.18	3	6	0	79	317.176	3	↓ MOL2 SDF SMILES Flexibase

52885463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-aminophenyl)-2-(3-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.32	2.66	-18.79	3	6	0	79	248.286	3	↓ MOL2 SDF SMILES Flexibase

52885464

Analogs

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Popular Name: N-(2-amino-4-chloro-phenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-amino-4-chloro-phenyl)-2-(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)	1.36	3.46	-18.06	3	6	0	79	282.731	3	↓ MOL2 SDF SMILES Flexibase

52885510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-(3-methyl-2-oxo-imidazolidin-1-yl)acetyl]amino]benzoic 4-chloro-3-[[2-(3-methyl-2-oxo-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)	1.79	5.99	-68.14	1	7	-1	93	310.717	4	↓ MOL2 SDF SMILES Flexibase

52885823

Analogs

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Popular Name: N-(2-cyanophenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-cyanophenyl)-2-(3-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.98	5.22	-17.77	1	6	0	76	258.281	3	↓ MOL2 SDF SMILES Flexibase

52885824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-cyanophenyl)-2-(3-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.02	5.19	-20.48	1	6	0	76	258.281	3	↓ MOL2 SDF SMILES Flexibase

52885827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyanophenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-cyanophenyl)-2-(3-methyl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.00	5.18	-23.58	1	6	0	76	258.281	3	↓ MOL2 SDF SMILES Flexibase

52885844

Analogs

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Popular Name: N-(2-carbamothioylphenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(2-carbamothioylphenyl)-2-(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)	1.02	4.58	-21.58	3	6	0	79	292.364	4	↓ MOL2 SDF SMILES Flexibase

52885845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamothioylphenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(3-carbamothioylphenyl)-2-(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)	1.05	4.01	-33.65	3	6	0	79	292.364	4	↓ MOL2 SDF SMILES Flexibase

52885846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamothioylphenyl)-2-(3-methyl-2-oxo-imidazolidin-1-yl)acetamide N-(4-carbamothioylphenyl)-2-(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)	1.07	4.02	-30.1	3	6	0	79	292.364	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30839
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 = 30839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30839&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": "30839"        

    });
</script>

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