ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52878645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(2S)-5-oxopyrrolidine-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)	0.19	4.13	-61.7	2	6	-1	98	275.284	4	↓ MOL2 SDF SMILES Flexibase

52878647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(2S)-5-oxopyrrolidine-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)	0.19	4.13	-60.6	2	6	-1	98	275.284	4	↓ MOL2 SDF SMILES Flexibase

52878649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(2R)-5-oxopyrrolidine-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)	0.19	4.13	-60.35	2	6	-1	98	275.284	4	↓ MOL2 SDF SMILES Flexibase

52878651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(2R)-5-oxopyrrolidine-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)	0.19	4.13	-61.11	2	6	-1	98	275.284	4	↓ MOL2 SDF SMILES Flexibase

52898816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[4-(2-aminoethyl)phenyl]methyl]-5-oxo-pyrrolidine-2-carboxamide (2S)-N-[[4-(2-aminoethyl)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)	-0.70	1.03	-60.37	5	5	1	86	262.333	5	↓ MOL2 SDF SMILES Flexibase

52898819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[4-(2-aminoethyl)phenyl]methyl]-5-oxo-pyrrolidine-2-carboxamide (2R)-N-[[4-(2-aminoethyl)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)	-0.70	1.04	-60.02	5	5	1	86	262.333	5	↓ MOL2 SDF SMILES Flexibase

36537173

Analogs

36537174
36575603
36575604
36591328
36591329

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1R)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.53	1.53	-17.37	3	7	0	99	347.415	5	↓ MOL2 SDF SMILES Flexibase

36537174

Analogs

36575603
36575604
36591328
36591329
36537173

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1S)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.53	1.39	-16.75	3	7	0	99	347.415	5	↓ MOL2 SDF SMILES Flexibase

36537179

Analogs

36537180
36575610
36575611
36591334
36591335

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(3-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyrrol (2S)-N-[(1R)-1-(3-hydroxyphenyl)…

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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)	2.13	4.47	-16.84	3	7	0	99	403.523	7	↓ MOL2 SDF SMILES Flexibase

36537180

Analogs

36575610
36575611
36591334
36591335
36537179

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyrrol (2S)-N-[(1S)-1-(3-hydroxyphenyl)…

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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)	2.13	4.57	-16.18	3	7	0	99	403.523	7	↓ MOL2 SDF SMILES Flexibase

36537181

Analogs

36537182
36575603
36575604
36575612
36575613

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamid (2S)-N-[(1R)-2-(butylamino)-1-(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)	0.78	1.77	-17.72	3	7	0	99	347.415	7	↓ MOL2 SDF SMILES Flexibase

36537182

Analogs

36575603
36575604
36575612
36575613
36591336

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamid (2S)-N-[(1S)-2-(butylamino)-1-(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)	0.78	1.62	-17.28	3	7	0	99	347.415	7	↓ MOL2 SDF SMILES Flexibase

36537183

Analogs

36537184
36575614
36575616
36591338
36591339

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1R)-2-(tert-butylamino)…

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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)	0.55	1.53	-16.66	3	7	0	99	347.415	5	↓ MOL2 SDF SMILES Flexibase

36537184

Analogs

36575614
36575616
36591338
36591339
36537183

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1S)-2-(tert-butylamino)…

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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)	0.55	1.39	-16.62	3	7	0	99	347.415	5	↓ MOL2 SDF SMILES Flexibase

36537189

Analogs

36537190
36575625
36575626
36591344
36591345

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyrrol (2S)-N-[(1R)-1-(4-hydroxyphenyl)…

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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)	2.15	4.48	-16.1	3	7	0	99	403.523	7	↓ MOL2 SDF SMILES Flexibase

36537190

Analogs

36575625
36575626
36591344
36591345
36537189

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyrrol (2S)-N-[(1S)-1-(4-hydroxyphenyl)…

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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)	2.15	4.58	-15.98	3	7	0	99	403.523	7	↓ MOL2 SDF SMILES Flexibase

36537191

Analogs

36537192
36575627
36575629

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamid (2S)-N-[(1R)-2-(butylamino)-1-(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)	0.81	1.77	-17.06	3	7	0	99	347.415	7	↓ MOL2 SDF SMILES Flexibase

36537192

Analogs

36575627
36575629
36537191

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamid (2S)-N-[(1S)-2-(butylamino)-1-(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)	0.81	1.62	-17.1	3	7	0	99	347.415	7	↓ MOL2 SDF SMILES Flexibase

36537193

Analogs

36537194
36575630
36575631
36591348
36591349

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-ca (2S)-N-[(1S)-2-(tert-butylamino)…

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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)	1.86	5.46	-13.44	2	6	0	79	359.47	5	↓ MOL2 SDF SMILES Flexibase

36537194

Analogs

36575630
36575631
36591348
36591349
36537193

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-ca (2S)-N-[(1R)-2-(tert-butylamino)…

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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)	1.86	5.57	-14.75	2	6	0	79	359.47	5	↓ MOL2 SDF SMILES Flexibase

36537199

Analogs

36537200
36575637
36575638
36591354
36591355

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyr (2S)-N-[(1S)-1-(2,4-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)	3.46	9.24	-13.1	2	6	0	79	415.578	7	↓ MOL2 SDF SMILES Flexibase

36537200

Analogs

36575637
36575638
36591354
36591355
36537199

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2,4-dimethylphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyr (2S)-N-[(1R)-1-(2,4-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)	3.46	8.7	-13.38	2	6	0	79	415.578	7	↓ MOL2 SDF SMILES Flexibase

36537201

Analogs

36537202
36575630
36575631
36575639
36575640

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxa (2S)-N-[(1R)-2-(butylamino)-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)	2.11	5.59	-14.77	2	6	0	79	359.47	7	↓ MOL2 SDF SMILES Flexibase

36537202

Analogs

36575630
36575631
36575639
36575640
36591356

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxa (2S)-N-[(1S)-2-(butylamino)-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)	2.11	5.7	-13.93	2	6	0	79	359.47	7	↓ MOL2 SDF SMILES Flexibase

36537203

Analogs

36537204
36575641
36575642
36591358
36591359

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1R)-2-(tert-butylamino)…

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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	3.68	-16.99	2	7	0	88	361.442	6	↓ MOL2 SDF SMILES Flexibase

36537204

Analogs

36575641
36575642
36591358
36591359
36537203

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1S)-2-(tert-butylamino)…

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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	3.54	-15.93	2	7	0	88	361.442	6	↓ MOL2 SDF SMILES Flexibase

36537209

Analogs

36537210
36575648
36575649
36591364
36591365

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(3-methoxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyrrol (2S)-N-[(1R)-1-(3-methoxyphenyl)…

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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)	2.66	6.62	-16.74	2	7	0	88	417.55	8	↓ MOL2 SDF SMILES Flexibase

36537210

Analogs

36575648
36575649
36591364
36591365
36537209

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(3-methoxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-N-methyl-5-oxo-pyrrol (2S)-N-[(1S)-1-(3-methoxyphenyl)…

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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)	2.66	6.73	-15.41	2	7	0	88	417.55	8	↓ MOL2 SDF SMILES Flexibase

36537211

Analogs

36537212
36575641
36575642
36575650
36575651

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamid (2S)-N-[(1R)-2-(butylamino)-1-(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)	1.32	3.92	-17.34	2	7	0	88	361.442	8	↓ MOL2 SDF SMILES Flexibase

36537212

Analogs

36575641
36575642
36575650
36575651
36591366

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamid (2S)-N-[(1S)-2-(butylamino)-1-(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)	1.32	3.78	-16.38	2	7	0	88	361.442	8	↓ MOL2 SDF SMILES Flexibase

36537232

Analogs

36537234
36575671
36575672
36591384
36591385

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-methyl-5-oxo-pyrrolidine-2 (2S)-N-[(1R)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.39	-2.84	-18.98	5	9	0	139	379.413	5	↓ MOL2 SDF SMILES Flexibase

36537234

Analogs

36575671
36575672
36591384
36591385
36537232

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-methyl-5-oxo-pyrrolidine-2 (2S)-N-[(1S)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.39	-3.52	-15.76	5	9	0	139	379.413	5	↓ MOL2 SDF SMILES Flexibase

36537240

Analogs

36537241
36575679
36575680
36591388
36591389

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-5-oxo-N-[(1R)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)-1-(2,4,6-trihydroxyphenyl)ethyl] (2S)-N-methyl-5-oxo-N-[(1R)-2-ox…

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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)	1.98	0.42	-16.29	5	9	0	139	435.521	7	↓ MOL2 SDF SMILES Flexibase

36537241

Analogs

36575679
36575680
36591388
36591389
36537240

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-5-oxo-N-[(1S)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)-1-(2,4,6-trihydroxyphenyl)ethyl] (2S)-N-methyl-5-oxo-N-[(1S)-2-ox…

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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)	1.98	-0.22	-15.05	5	9	0	139	435.521	7	↓ MOL2 SDF SMILES Flexibase

36537242

Analogs

36537243
36575681
36575682
34376096

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-methyl-5-oxo-pyrrolidine-2-carb (2S)-N-[(1R)-2-(butylamino)-2-ox…

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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)	0.64	-2.45	-19.76	5	9	0	139	379.413	7	↓ MOL2 SDF SMILES Flexibase

36537243

Analogs

36575681
36575682
36537242
34376096

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-methyl-5-oxo-pyrrolidine-2-carb (2S)-N-[(1S)-2-(butylamino)-2-ox…

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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)	0.64	-3.32	-16.14	5	9	0	139	379.413	7	↓ MOL2 SDF SMILES Flexibase

36537244

Analogs

36537245
36575683
36575685
36591392
36591393

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-methyl-5-oxo-pyrrolidin (2S)-N-[(1R)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	5.38	-15.48	2	6	0	79	399.413	6	↓ MOL2 SDF SMILES Flexibase

36537245

Analogs

36575683
36575685
36591392
36591393
36537244

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-methyl-5-oxo-pyrrolidin (2S)-N-[(1S)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	5.25	-15.86	2	6	0	79	399.413	6	↓ MOL2 SDF SMILES Flexibase

36537250

Analogs

36537251
36575689
36575691
36591396
36591397

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-5-oxo-N-[(1R)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)-1-[4-(trifluoromethyl)phenyl]eth (2S)-N-methyl-5-oxo-N-[(1R)-2-ox…

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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)	3.53	8.34	-15.06	2	6	0	79	455.521	8	↓ MOL2 SDF SMILES Flexibase

36537251

Analogs

36575689
36575691
36591396
36591397
36537250

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-5-oxo-N-[(1S)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)-1-[4-(trifluoromethyl)phenyl]eth (2S)-N-methyl-5-oxo-N-[(1S)-2-ox…

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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)	3.53	8.44	-15.07	2	6	0	79	455.521	8	↓ MOL2 SDF SMILES Flexibase

36537252

Analogs

36537253
36575693
36575694

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-methyl-5-oxo-pyrrolidine-2-c (2S)-N-[(1R)-2-(butylamino)-2-ox…

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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)	2.18	5.62	-15.92	2	6	0	79	399.413	8	↓ MOL2 SDF SMILES Flexibase

36537253

Analogs

36575693
36575694
36537252

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-methyl-5-oxo-pyrrolidine-2-c (2S)-N-[(1S)-2-(butylamino)-2-ox…

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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)	2.18	5.48	-16.34	2	6	0	79	399.413	8	↓ MOL2 SDF SMILES Flexibase

36537254

Analogs

36537255
36575695
36575697
36591400
36591401

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamide (2S)-N-[(1S)-2-(tert-butylamino)…

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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)	1.43	5.02	-14.04	2	6	0	79	345.443	5	↓ MOL2 SDF SMILES Flexibase

36537255

Analogs

36575695
36575697
36591400
36591401
36537254

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamide (2S)-N-[(1R)-2-(tert-butylamino)…

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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)	1.43	4.87	-14.86	2	6	0	79	345.443	5	↓ MOL2 SDF SMILES Flexibase

36537260

Analogs

36537261
36575703
36575704
36591406
36591407

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-N-[(1S)-1-(o-tolyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-5-oxo-pyrrolidine-2- (2S)-N-methyl-N-[(1S)-1-(o-tolyl…

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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)	3.03	8.57	-13.37	2	6	0	79	401.551	7	↓ MOL2 SDF SMILES Flexibase

36537261

Analogs

36575703
36575704
36591406
36591407
36537260

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-methyl-N-[(1R)-1-(o-tolyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-5-oxo-pyrrolidine-2- (2S)-N-methyl-N-[(1R)-1-(o-tolyl…

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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)	3.03	7.98	-13.97	2	6	0	79	401.551	7	↓ MOL2 SDF SMILES Flexibase

36537262

Analogs

36537263
36575695
36575697
36575705
36575706

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamide (2S)-N-[(1R)-2-(butylamino)-1-(o…

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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)	1.69	4.93	-14.91	2	6	0	79	345.443	7	↓ MOL2 SDF SMILES Flexibase

36537263

Analogs

36575695
36575697
36575705
36575706
36591408

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carboxamide (2S)-N-[(1S)-2-(butylamino)-1-(o…

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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)	1.69	5.04	-13.98	2	6	0	79	345.443	7	↓ MOL2 SDF SMILES Flexibase

36537264

Analogs

36537265
36575707
36575708
36591410
36591411

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1R)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	1.49	-15.9	3	7	0	99	347.415	5	↓ MOL2 SDF SMILES Flexibase

36537265

Analogs

36575707
36575708
36591410
36591411
36537264

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-2-oxo-ethyl]-N-methyl-5-oxo-pyrrolidine-2-carbo (2S)-N-[(1S)-2-(tert-butylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.97	1.91	-16.87	3	7	0	99	347.415	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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