ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

296

Analogs

1692919
1692920
1692921

Draw Identity 99% 90% 80% 70%

Popular Name: INN INN

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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	-0.04	-8.08	1	3	0	46	217.268	2	↓ MOL2 SDF SMILES Flexibase

52925552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2-hydroxyethoxy)ethyl]-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3R)-1-[2-(2-hydroxyethoxy)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)	0.60	3.44	-12.07	1	5	0	67	277.32	6	↓ MOL2 SDF SMILES Flexibase

52925553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-hydroxyethoxy)ethyl]-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3S)-1-[2-(2-hydroxyethoxy)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)	0.60	3.43	-12.26	1	5	0	67	277.32	6	↓ MOL2 SDF SMILES Flexibase

52925564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-hydroxyethoxy)ethyl]-3-phenyl-pyrrolidine-2,5-dione (3S)-1-[2-(2-hydroxyethoxy)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)	0.44	3.08	-12.3	1	5	0	67	263.293	6	↓ MOL2 SDF SMILES Flexibase

11813285

Analogs

11813286

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Popular Name: N-butyl-2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-acetamide N-butyl-2-[(3S)-3-(2-chloropheny…

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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	1.94	-13.11	0	6	0	67	394.899	9	↓ MOL2 SDF SMILES Flexibase

11813286

Analogs

11813285

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[(3R)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-acetamide N-butyl-2-[(3R)-3-(2-chloropheny…

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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	1.93	-13.42	0	6	0	67	394.899	9	↓ MOL2 SDF SMILES Flexibase

11814688

Analogs

11814690
11909958
11909959
12100136
12100137

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Popular Name: 2-[(3S)-3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-2,5-dioxo-pyrrolidin-3-yl]-N,N-diethyl-acetamide 2-[(3S)-3-(2-chlorophenyl)-1-(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)	1.82	3.44	-41.76	1	6	1	62	394.923	8	↓ MOL2 SDF SMILES Flexibase

11814690

Analogs

11909958
11909959
12100136
12100137
12184419

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Popular Name: 2-[(3R)-3-(2-chlorophenyl)-1-(2-dimethylaminoethyl)-2,5-dioxo-pyrrolidin-3-yl]-N,N-diethyl-acetamide 2-[(3R)-3-(2-chlorophenyl)-1-(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)	1.82	3.48	-41.63	1	6	1	62	394.923	8	↓ MOL2 SDF SMILES Flexibase

11814702

Analogs

11814703

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Popular Name: N-butyl-2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-acetamide N-butyl-2-[(3S)-1-(2-methoxyethy…

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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)	1.83	2.39	-15.49	0	7	0	76	390.48	10	↓ MOL2 SDF SMILES Flexibase

11814703

Analogs

11814702

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[(3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-methyl-acetamide N-butyl-2-[(3R)-1-(2-methoxyethy…

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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)	1.83	2.37	-15.77	0	7	0	76	390.48	10	↓ MOL2 SDF SMILES Flexibase

11976586

Analogs

11976591
12038379
12038381
12122375
12122382

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Popular Name: 2-[(3S)-3-(3-fluorophenyl)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-N-isobutyl-N-methyl-acetamide 2-[(3S)-3-(3-fluorophenyl)-1-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)	1.67	3.21	-16.05	0	5	0	58	334.391	5	↓ MOL2 SDF SMILES Flexibase

11976591

Analogs

12038379
12038381
12122375
12122382
12122387

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]-N-isobutyl-N-methyl-acetamide 2-[(3R)-3-(3-fluorophenyl)-1-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)	1.67	3.2	-16.12	0	5	0	58	334.391	5	↓ MOL2 SDF SMILES Flexibase

11978759

Analogs

11978767
12190855
12190856

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-(2-dimethylaminoethyl)-3-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]-N-isobutyl-N-methyl-acetamid 2-[(3S)-1-(2-dimethylaminoethyl)…

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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)	1.96	3.51	-35.92	1	6	1	62	388.532	8	↓ MOL2 SDF SMILES Flexibase

11978767

Analogs

12190855
12190856
11978759

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-(2-dimethylaminoethyl)-3-(o-tolyl)-2,5-dioxo-pyrrolidin-3-yl]-N-isobutyl-N-methyl-acetamid 2-[(3R)-1-(2-dimethylaminoethyl)…

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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)	1.96	3.11	-36.35	1	6	1	62	388.532	8	↓ MOL2 SDF SMILES Flexibase

12034349

Analogs

12034351

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Popular Name: 2-[(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-pyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-e 2-[(3S)-3-(2-chlorophenyl)-1-(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)	2.59	3.11	-15.25	0	6	0	67	406.91	9	↓ MOL2 SDF SMILES Flexibase

12034351

Analogs

12034349

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-pyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-e 2-[(3R)-3-(2-chlorophenyl)-1-(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)	2.59	3.22	-15.44	0	6	0	67	406.91	9	↓ MOL2 SDF SMILES Flexibase

12034867

Analogs

12034870
12040128
12040131
11909787
11909788

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Popular Name: N-(2-diethylaminoethyl)-2-[(3S)-1-(2-dimethylaminoethyl)-3-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-y N-(2-diethylaminoethyl)-2-[(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)	1.36	4.39	-90.52	2	7	2	67	436.572	11	↓ MOL2 SDF SMILES Flexibase

12034870

Analogs

12040128
12040131
12034867
11909787

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-[(3R)-1-(2-dimethylaminoethyl)-3-(3-fluorophenyl)-2,5-dioxo-pyrrolidin-3-y N-(2-diethylaminoethyl)-2-[(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)	1.36	4.44	-91.04	2	7	2	67	436.572	11	↓ MOL2 SDF SMILES Flexibase

12036271

Analogs

12036276
12053687
12053690
12053693
12053697

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-pyrrolidin-3-yl]-N-(2-hydroxyethyl)a N-ethyl-2-[(3S)-3-(2-fluoropheny…

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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)	0.25	-0.01	-16.89	1	7	0	87	380.416	9	↓ MOL2 SDF SMILES Flexibase

12036276

Analogs

12053687
12053690
12053693
12053697
11970601

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-[(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxo-pyrrolidin-3-yl]-N-(2-hydroxyethyl)a N-ethyl-2-[(3R)-3-(2-fluoropheny…

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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)	0.25	-0.02	-17.37	1	7	0	87	380.416	9	↓ MOL2 SDF SMILES Flexibase

12037020

Analogs

12037023

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Popular Name: 2-[(3R)-1-(2-dimethylaminoethyl)-3-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-isobutyl-N-methyl- 2-[(3R)-1-(2-dimethylaminoethyl)…

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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)	1.59	3.14	-41.11	1	7	1	71	404.531	9	↓ MOL2 SDF SMILES Flexibase

12037023

Analogs

12037020

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-(2-dimethylaminoethyl)-3-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-N-isobutyl-N-methyl- 2-[(3S)-1-(2-dimethylaminoethyl)…

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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)	1.59	3.26	-41.55	1	7	1	71	404.531	9	↓ MOL2 SDF SMILES Flexibase

12040048

Analogs

12040051
12210547
12210552

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Popular Name: N,N-diethyl-2-[(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide N,N-diethyl-2-[(3S)-1-(2-methoxy…

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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)	1.17	2.1	-17.79	0	7	0	76	376.453	9	↓ MOL2 SDF SMILES Flexibase

12040051

Analogs

12210547
12210552
12040048

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(3R)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide N,N-diethyl-2-[(3R)-1-(2-methoxy…

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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)	1.17	2.11	-17.26	0	7	0	76	376.453	9	↓ MOL2 SDF SMILES Flexibase

54162053

Analogs

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Popular Name: (3S)-1-[(1S)-3-amino-1-ethyl-propyl]-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3S)-1-[(1S)-3-amino-1-ethyl-pro…

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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)	1.28	6.4	-46.58	3	4	1	65	275.372	5	↓ MOL2 SDF SMILES Flexibase

54162054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(1R)-3-amino-1-ethyl-propyl]-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3S)-1-[(1R)-3-amino-1-ethyl-pro…

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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)	1.28	6.41	-46.22	3	4	1	65	275.372	5	↓ MOL2 SDF SMILES Flexibase

54162055

Analogs

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Popular Name: (3R)-1-[(1S)-3-amino-1-ethyl-propyl]-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3R)-1-[(1S)-3-amino-1-ethyl-pro…

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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)	1.28	6.41	-46.29	3	4	1	65	275.372	5	↓ MOL2 SDF SMILES Flexibase

54162056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-3-amino-1-ethyl-propyl]-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3R)-1-[(1R)-3-amino-1-ethyl-pro…

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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)	1.28	6.41	-46.43	3	4	1	65	275.372	5	↓ MOL2 SDF SMILES Flexibase

54162079

Analogs

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Popular Name: (3R)-1-[(1S)-3-amino-1-ethyl-propyl]-3-phenyl-pyrrolidine-2,5-dione (3R)-1-[(1S)-3-amino-1-ethyl-pro…

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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)	1.12	6.06	-46.75	3	4	1	65	261.345	5	↓ MOL2 SDF SMILES Flexibase

54162080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(1R)-3-amino-1-ethyl-propyl]-3-phenyl-pyrrolidine-2,5-dione (3R)-1-[(1R)-3-amino-1-ethyl-pro…

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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)	1.12	6.06	-46.63	3	4	1	65	261.345	5	↓ MOL2 SDF SMILES Flexibase

57955816

Analogs

34975165
34975167

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (3S)-3-(3,4-dichlorophenyl)pyrro…

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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	3.8	-11.16	1	3	0	46	244.077	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.41	1.25	-41.35	0	3	-1	52	243.069	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.41	1.25	-41.36	0	3	-1	52	243.069	1	↓ MOL2 SDF SMILES Flexibase

2087206

Analogs

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Popular Name: (3R)-3-[4-(7-methyloctoxy)phenyl]pyrrolidine-2,5-quinone (3R)-3-[4-(7-methyloctoxy)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)	4.43	8.24	-9.98	1	4	0	55	317.429	9	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.43	8.25	-9.99	1	4	0	55	317.429	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.62	5.71	-42.96	0	4	-1	62	316.421	9	↓ MOL2 SDF SMILES Flexibase

63019814

Analogs

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Popular Name: (3S)-3-isopropyl-3-phenyl-pyrrolidine-2,5-dione (3S)-3-isopropyl-3-phenyl-pyrrol…

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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)	1.66	4.01	-7.83	1	3	0	46	217.268	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.84	1.47	-45.66	0	3	-1	52	216.26	2	↓ MOL2 SDF SMILES Flexibase

63019815

Analogs

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Popular Name: (3R)-3-isopropyl-3-phenyl-pyrrolidine-2,5-dione (3R)-3-isopropyl-3-phenyl-pyrrol…

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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)	1.66	4.02	-7.82	1	3	0	46	217.268	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.84	1.47	-45.68	0	3	-1	52	216.26	2	↓ MOL2 SDF SMILES Flexibase

63020956

Analogs

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Popular Name: (3R)-1-(2-amino-1,1-dimethyl-ethyl)-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3R)-1-(2-amino-1,1-dimethyl-eth…

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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	4.91	-44.96	3	4	1	65	261.345	3	↓ MOL2 SDF SMILES Flexibase

63020957

Analogs

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Popular Name: (3S)-1-(2-amino-1,1-dimethyl-ethyl)-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3S)-1-(2-amino-1,1-dimethyl-eth…

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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	4.89	-45.01	3	4	1	65	261.345	3	↓ MOL2 SDF SMILES Flexibase

63020965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-amino-1,1-dimethyl-ethyl)-3-phenyl-pyrrolidine-2,5-dione (3R)-1-(2-amino-1,1-dimethyl-eth…

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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)	0.80	4.55	-45.13	3	4	1	65	247.318	3	↓ MOL2 SDF SMILES Flexibase

40444695

Analogs

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Popular Name: (2S)-2-[(3R)-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]pentanenitrile (2S)-2-[(3R)-2,5-dioxo-3-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)	2.39	8.14	-11.27	0	4	0	61	256.305	4	↓ MOL2 SDF SMILES Flexibase

40444696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3R)-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]pentanenitrile (2R)-2-[(3R)-2,5-dioxo-3-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)	2.39	8.04	-10.25	0	4	0	61	256.305	4	↓ MOL2 SDF SMILES Flexibase

41204376

Analogs

36929114
36929115

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(o-tolyl)pyrrolidine-2,5-dione (3S)-3-(o-tolyl)pyrrolidine-2,5-…

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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)	0.87	3.35	-8.56	1	3	0	46	189.214	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.05	0.81	-43.64	0	3	-1	52	188.206	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.05	0.8	-43.76	0	3	-1	52	188.206	1	↓ MOL2 SDF SMILES Flexibase

41204381

Analogs

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Popular Name: (3S)-3-(m-tolyl)pyrrolidine-2,5-dione (3S)-3-(m-tolyl)pyrrolidine-2,5-…

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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)	1.36	3.49	-8.7	1	3	0	46	189.214	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	0.94	-43.17	0	3	-1	52	188.206	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	0.94	-43.18	0	3	-1	52	188.206	1	↓ MOL2 SDF SMILES Flexibase

41206122

Analogs

36928997
36928998

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Popular Name: 3-(2-fluorophenyl)pyrrolidine-2,5-dione 3-(2-fluorophenyl)pyrrolidine-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)	0.58	2.83	-8.44	1	3	0	46	193.177	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.77	0.29	-42.5	0	3	-1	52	192.169	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.77	0.29	-42.51	0	3	-1	52	192.169	1	↓ MOL2 SDF SMILES Flexibase

41219017

Analogs

36929084
36929085

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Popular Name: (3S)-3-(2-chlorophenyl)pyrrolidine-2,5-dione (3S)-3-(2-chlorophenyl)pyrrolidi…

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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	3.24	-7.88	1	3	0	46	209.632	1	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.10	3.24	-7.88	1	3	0	46	209.632	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.28	0.69	-41.91	0	3	-1	52	208.624	1	↓ MOL2 SDF SMILES Flexibase

70119090

Analogs

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Popular Name: (3R)-1-(1,1-dimethylprop-2-ynyl)-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3R)-1-(1,1-dimethylprop-2-ynyl)…

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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)	2.31	7.97	-8.83	0	3	0	37	255.317	2	↓ MOL2 SDF SMILES Flexibase

70119091

Analogs

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Popular Name: (3S)-1-(1,1-dimethylprop-2-ynyl)-3-methyl-3-phenyl-pyrrolidine-2,5-dione (3S)-1-(1,1-dimethylprop-2-ynyl)…

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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)	2.31	7.97	-9.27	0	3	0	37	255.317	2	↓ MOL2 SDF SMILES Flexibase

41229709

Analogs

36929022
36929023
36929049
36929050
36929062

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-Pyrrolidinedione, 3-(4-(1-methylethyl)phenyl)-; 3-(4-(1-Methylethyl)phenyl)-2,5-pyrrolidinedione; BRN 5526647; LS-137697; p-Isopropylphenylsuccinimide 2,5-Pyrrolidinedione, 3-(4-(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)	2.45	4.75	-8.49	1	3	0	46	217.268	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	2.21	-42.92	0	3	-1	52	216.26	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	2.21	-42.92	0	3	-1	52	216.26	2	↓ MOL2 SDF SMILES Flexibase

70200142

Analogs

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Popular Name: 5-[(3S)-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]pentanoic 5-[(3S)-2,5-dioxo-3-phenyl-pyrro…

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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)	1.48	8.34	-52.3	0	5	-1	78	274.296	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.48	6.36	-12.29	1	5	0	75	275.304	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.48	6.36	-12.63	1	5	0	75	275.304	6	↓ MOL2 SDF SMILES Flexibase

70200150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methyl-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]pentanoic 5-[(3R)-3-methyl-2,5-dioxo-3-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)	1.63	8.68	-52.13	0	5	-1	78	288.323	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	6.71	-11.95	1	5	0	75	289.331	6	↓ MOL2 SDF SMILES Flexibase

70200151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methyl-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]pentanoic 5-[(3S)-3-methyl-2,5-dioxo-3-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)	1.63	8.68	-51.6	0	5	-1	78	288.323	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	6.71	-12.35	1	5	0	75	289.331	6	↓ MOL2 SDF SMILES Flexibase

70312400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-[(3R)-2,5-dioxo-3-phenyl-pyrrolidin-1-yl]pentanoic (4S)-4-[(3R)-2,5-dioxo-3-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)	1.30	8.43	-51.38	0	5	-1	78	274.296	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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