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ZINC Item

Suppliers, Protomers, & Similar Substances

8980411

Analogs

8980414
25762576

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-acetamide N-[1-(3,4-difluorophenyl)ethyl]-…

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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	1.53	-18.01	1	5	0	68	344.317	4	↓ MOL2 SDF SMILES Flexibase

8980414

Analogs

25762576
8980411

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-acetamide N-[1-(3,4-difluorophenyl)ethyl]-…

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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	1.53	-18.01	1	5	0	68	344.317	4	↓ MOL2 SDF SMILES Flexibase

8980418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide 2-(1,3-dioxoisoindolin-2-yl)-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)	2.90	1.48	-15.99	1	5	0	68	362.307	5	↓ MOL2 SDF SMILES Flexibase

53330811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-(1,3-dioxoisoindolin-2-yl)-N-[(3-fluorophenyl)methyl]acetamide N-tert-butyl-2-(1,3-dioxoisoindo…

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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)	3.60	9.86	-19.19	0	5	0	59	368.408	5	↓ MOL2 SDF SMILES Flexibase

18956352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(4-ethylphenyl)methyl]-N-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)	2.79	11.56	-22.62	0	8	0	105	381.388	6	↓ MOL2 SDF SMILES Flexibase

18956358

Analogs

4433834

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(3-chlorophenyl)methyl]-N-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)	2.53	10.63	-20.98	0	8	0	105	387.779	5	↓ MOL2 SDF SMILES Flexibase

18956379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(3,4-dimethoxyphenyl)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)	1.89	10.23	-25.93	0	10	0	124	427.413	8	↓ MOL2 SDF SMILES Flexibase

18956391

Analogs

4433967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(o-tolylmethyl)acetamide 2-(4-nitro-1,3-dioxo-isoindolin-…

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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)	2.03	8.88	-20.22	1	8	0	114	353.334	5	↓ MOL2 SDF SMILES Flexibase

18956418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide 2-(4-nitro-1,3-dioxo-isoindolin-…

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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)	1.26	6.58	-24.77	1	11	0	142	429.385	8	↓ MOL2 SDF SMILES Flexibase

18956434

Analogs

9085022
9085080

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(2-fluorophenyl)methyl]-2-(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)	1.74	8.07	-21.76	1	8	0	114	357.297	5	↓ MOL2 SDF SMILES Flexibase

53362529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(3-methoxy-4-methyl-phenyl)methyl]acetamide 2-(1,3-dioxoisoindolin-2-yl)-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)	2.46	6.53	-15.97	1	6	0	77	338.363	5	↓ MOL2 SDF SMILES Flexibase

58005020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)-N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]propanamide (2R)-2-(1,3-dioxoisoindolin-2-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)	3.13	11.16	-17.97	0	8	0	105	381.388	5	↓ MOL2 SDF SMILES Flexibase

58005022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]propanamide (2R)-2-(1,3-dioxoisoindolin-2-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)	3.13	10.43	-24.91	0	8	0	105	381.388	5	↓ MOL2 SDF SMILES Flexibase

58005030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]propanamide (2S)-2-(1,3-dioxoisoindolin-2-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)	3.13	10.75	-17.3	0	8	0	105	381.388	5	↓ MOL2 SDF SMILES Flexibase

58005032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]propanamide (2S)-2-(1,3-dioxoisoindolin-2-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)	3.13	10.36	-19.93	0	8	0	105	381.388	5	↓ MOL2 SDF SMILES Flexibase

68883260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide (2R)-2-(5,6-dichloro-1,3-dioxo-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)	4.21	9.55	-11.05	1	5	0	68	391.254	4	↓ MOL2 SDF SMILES Flexibase

68883261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide (2R)-2-(5,6-dichloro-1,3-dioxo-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)	4.21	9.55	-11.13	1	5	0	68	391.254	4	↓ MOL2 SDF SMILES Flexibase

68883262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide (2S)-2-(5,6-dichloro-1,3-dioxo-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)	4.21	9.48	-11.09	1	5	0	68	391.254	4	↓ MOL2 SDF SMILES Flexibase

68883263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide (2S)-2-(5,6-dichloro-1,3-dioxo-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)	4.21	9.49	-11.01	1	5	0	68	391.254	4	↓ MOL2 SDF SMILES Flexibase

14573567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(1R)-1-(2,5-dimethylphenyl)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)	3.01	10.06	-21.29	1	8	0	114	381.388	5	↓ MOL2 SDF SMILES Flexibase

14573568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(1S)-1-(2,5-dimethylphenyl)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)	3.01	10.48	-22.26	1	8	0	114	381.388	5	↓ MOL2 SDF SMILES Flexibase

14573755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2R)-N-[(1R)-1-(2,5-dimethylphen…

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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)	3.78	9.81	-15.42	1	5	0	68	350.418	4	↓ MOL2 SDF SMILES Flexibase

14573756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2R)-N-[(1S)-1-(2,5-dimethylphen…

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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)	3.78	9.77	-15.29	1	5	0	68	350.418	4	↓ MOL2 SDF SMILES Flexibase

14573757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2S)-N-[(1R)-1-(2,5-dimethylphen…

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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)	3.78	9.75	-15.33	1	5	0	68	350.418	4	↓ MOL2 SDF SMILES Flexibase

14573758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2S)-N-[(1S)-1-(2,5-dimethylphen…

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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)	3.78	9.71	-15.35	1	5	0	68	350.418	4	↓ MOL2 SDF SMILES Flexibase

14575296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(1R)-1-(3,4-difluorophenyl)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)	2.44	9.01	-24.16	1	8	0	114	389.314	5	↓ MOL2 SDF SMILES Flexibase

14575297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[(1S)-1-(3,4-difluorophenyl)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)	2.44	9.01	-22.11	1	8	0	114	389.314	5	↓ MOL2 SDF SMILES Flexibase

14575628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2R)-N-[(1R)-1-(3,4-difluorophen…

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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)	3.21	8.68	-15.99	1	5	0	68	358.344	4	↓ MOL2 SDF SMILES Flexibase

14575629

Analogs

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Popular Name: (2R)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2R)-N-[(1S)-1-(3,4-difluorophen…

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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)	3.21	8.68	-17.9	1	5	0	68	358.344	4	↓ MOL2 SDF SMILES Flexibase

14575630

Analogs

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Popular Name: (2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2S)-N-[(1R)-1-(3,4-difluorophen…

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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)	3.21	8.71	-16.17	1	5	0	68	358.344	4	↓ MOL2 SDF SMILES Flexibase

14575631

Analogs

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Popular Name: (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)propanamide (2S)-N-[(1S)-1-(3,4-difluorophen…

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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)	3.21	8.7	-17.87	1	5	0	68	358.344	4	↓ MOL2 SDF SMILES Flexibase

14575676

Analogs

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Popular Name: (2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide (2S)-N-[(1S)-1-(3,4-difluorophen…

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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)	4.48	11.06	-17.33	1	5	0	68	400.425	6	↓ MOL2 SDF SMILES Flexibase

14575677

Analogs

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Popular Name: (2R)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide (2R)-N-[(1S)-1-(3,4-difluorophen…

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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)	4.48	10.51	-17.42	1	5	0	68	400.425	6	↓ MOL2 SDF SMILES Flexibase

14575678

Analogs

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Popular Name: (2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide (2S)-N-[(1R)-1-(3,4-difluorophen…

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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)	4.48	11.06	-17.36	1	5	0	68	400.425	6	↓ MOL2 SDF SMILES Flexibase

14575679

Analogs

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Popular Name: (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide (2R)-N-[(1R)-1-(3,4-difluorophen…

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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)	4.48	10.52	-17.32	1	5	0	68	400.425	6	↓ MOL2 SDF SMILES Flexibase

68960984

Analogs

7807639

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Popular Name: (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(2,4-dichlorophenyl)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)	4.42	11.23	-14.24	1	5	0	68	405.281	5	↓ MOL2 SDF SMILES Flexibase

69118846

Analogs

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Popular Name: (2S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2S)-N-[(1S)-1-(2-chlorophenyl)e…

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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)	4.33	11.56	-16.79	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69118851

Analogs

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Popular Name: (2R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(1S)-1-(2-chlorophenyl)e…

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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)	4.33	11.54	-16.92	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69118855

Analogs

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Popular Name: (2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2S)-N-[(1R)-1-(2-chlorophenyl)e…

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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)	4.33	11.59	-16.65	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69118860

Analogs

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Popular Name: (2R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(1R)-1-(2-chlorophenyl)e…

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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)	4.33	11.39	-16.62	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69119904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2S)-N-[(1S)-1-(3-chlorophenyl)e…

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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)	4.35	10.97	-15.66	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69119908

Analogs

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Popular Name: (2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(1S)-1-(3-chlorophenyl)e…

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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)	4.35	11.41	-15.74	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69119911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2S)-N-[(1R)-1-(3-chlorophenyl)e…

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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)	4.35	10.98	-15.87	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69119928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(1R)-1-(3-chlorophenyl)e…

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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)	4.35	11.41	-15.71	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69140450

Analogs

7055733

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Popular Name: (2S)-N-[(4-chlorophenyl)methyl]-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)propanamide (2S)-N-[(4-chlorophenyl)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)	4.33	9.16	-10.47	1	5	0	68	411.672	4	↓ MOL2 SDF SMILES Flexibase

69140451

Analogs

7055733

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Popular Name: (2R)-N-[(4-chlorophenyl)methyl]-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)propanamide (2R)-N-[(4-chlorophenyl)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)	4.33	9.22	-10.51	1	5	0	68	411.672	4	↓ MOL2 SDF SMILES Flexibase

69161854

Analogs

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Popular Name: (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2S)-N-[(1S)-1-(4-chlorophenyl)e…

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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)	4.38	10.98	-14.76	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69161855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(1S)-1-(4-chlorophenyl)e…

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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)	4.38	11.43	-14.82	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69161856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2S)-N-[(1R)-1-(4-chlorophenyl)e…

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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)	4.38	10.99	-14.97	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

69161857

Analogs

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Popular Name: (2R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanamide (2R)-N-[(1R)-1-(4-chlorophenyl)e…

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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)	4.38	11.43	-14.72	1	5	0	68	384.863	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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