ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12039102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	-1.12	-22.36	2	8	0	103	398.415	8	↓ MOL2 SDF SMILES Flexibase

36534259

Analogs

36534260
36534289
36534290
36588367
36588368

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(3-hydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	5.41	-14.67	2	7	0	88	398.459	6	↓ MOL2 SDF SMILES Flexibase

36534260

Analogs

36534289
36534290
36588367
36588368
36534259

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(3-hydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	5.27	-15.46	2	7	0	88	398.459	6	↓ MOL2 SDF SMILES Flexibase

36534265

Analogs

36534266
36534295
36534296
36572782
36572783

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(3-hydroxyphenyl)-N-(1,1,3,3-tetramethylbut (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.33	8.36	-14.05	2	7	0	88	454.567	8	↓ MOL2 SDF SMILES Flexibase

36534266

Analogs

36534295
36534296
36572782
36572783
36572806

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(3-hydroxyphenyl)-N-(1,1,3,3-tetramethylbut (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.33	8.47	-15.06	2	7	0	88	454.567	8	↓ MOL2 SDF SMILES Flexibase

36534267

Analogs

36534268
36534297
36534298
36572784
36572785

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(3-hydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	5.65	-15.04	2	7	0	88	398.459	8	↓ MOL2 SDF SMILES Flexibase

36534268

Analogs

36534297
36534298
36572784
36572785
36572808

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(3-hydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	5.5	-16.06	2	7	0	88	398.459	8	↓ MOL2 SDF SMILES Flexibase

36534269

Analogs

36534270
36534387
36534388
36534479
36534480

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(4-hydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	5.42	-14.05	2	7	0	88	398.459	6	↓ MOL2 SDF SMILES Flexibase

36534270

Analogs

36534387
36534388
36534479
36534480
36588375

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(4-hydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	5.27	-15.17	2	7	0	88	398.459	6	↓ MOL2 SDF SMILES Flexibase

36534275

Analogs

36534276
36534485
36534486
36572790
36572791

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(4-hydroxyphenyl)-N-(1,1,3,3-tetramethylbut (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.35	8.37	-13.41	2	7	0	88	454.567	8	↓ MOL2 SDF SMILES Flexibase

36534276

Analogs

36534485
36534486
36572790
36572791
36572978

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(4-hydroxyphenyl)-N-(1,1,3,3-tetramethylbut (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.35	8.47	-14.75	2	7	0	88	454.567	8	↓ MOL2 SDF SMILES Flexibase

36534277

Analogs

36534278
36534395
36534396
36534487
36534488

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(4-hydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.00	5.65	-14.37	2	7	0	88	398.459	8	↓ MOL2 SDF SMILES Flexibase

36534278

Analogs

36534395
36534487
36534488
36572792
36572793

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(4-hydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.00	5.5	-15.62	2	7	0	88	398.459	8	↓ MOL2 SDF SMILES Flexibase

36534279

Analogs

36534280
36572794
36572795
36588383
36588384

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(2,4-dimethylphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.06	9.35	-12.38	1	6	0	68	410.514	6	↓ MOL2 SDF SMILES Flexibase

36534280

Analogs

36572794
36572795
36588383
36588384
36534279

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(2,4-dimethylphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.06	9.45	-12.16	1	6	0	68	410.514	6	↓ MOL2 SDF SMILES Flexibase

36534285

Analogs

36534286
36572798
36572799
36588387
36588388

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(2,4-dimethylphenyl)-N-(1,1,3,3-tetramethyl (2S)-2-[[2-(1,3-benzodioxol-5-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)	5.65	13.12	-12.05	1	6	0	68	466.622	8	↓ MOL2 SDF SMILES Flexibase

36534286

Analogs

36572798
36572799
36588387
36588388
36534285

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(2,4-dimethylphenyl)-N-(1,1,3,3-tetramethyl (2R)-2-[[2-(1,3-benzodioxol-5-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)	5.65	12.59	-11.1	1	6	0	68	466.622	8	↓ MOL2 SDF SMILES Flexibase

36534287

Analogs

36534288
36572800
36572801
36588389
36588390

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(2,4-dimethylphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.31	9.49	-12.33	1	6	0	68	410.514	8	↓ MOL2 SDF SMILES Flexibase

36534288

Analogs

36572800
36572801
36588389
36588390
36534287

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(2,4-dimethylphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.31	9.6	-12.87	1	6	0	68	410.514	8	↓ MOL2 SDF SMILES Flexibase

36534289

Analogs

36534290
36534515
36534516
36534523
36534524

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(3-methoxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.26	7.57	-14.72	1	7	0	77	412.486	7	↓ MOL2 SDF SMILES Flexibase

36534290

Analogs

36534515
36534516
36534523
36534524
36539877

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(3-methoxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.26	7.42	-14.69	1	7	0	77	412.486	7	↓ MOL2 SDF SMILES Flexibase

36534295

Analogs

36534296
36539883
36539884
36572782
36572783

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(3-methoxyphenyl)-N-(1,1,3,3-tetramethylbut (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.86	10.51	-14.27	1	7	0	77	468.594	9	↓ MOL2 SDF SMILES Flexibase

36534296

Analogs

36539883
36539884
36572782
36572783
36572806

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(3-methoxyphenyl)-N-(1,1,3,3-tetramethylbut (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.86	10.62	-14.45	1	7	0	77	468.594	9	↓ MOL2 SDF SMILES Flexibase

36534297

Analogs

36534298
36539885
36539886
36572784
36572785

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(3-methoxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.52	7.81	-15.03	1	7	0	77	412.486	9	↓ MOL2 SDF SMILES Flexibase

36534298

Analogs

36539885
36539886
36572784
36572785
36572808

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(3-methoxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.52	7.66	-15.29	1	7	0	77	412.486	9	↓ MOL2 SDF SMILES Flexibase

36534313

Analogs

36534314
36588407
36588408

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(2,4,6-trihydroxyphenyl)acetam (2R)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	1.05	-16.67	4	9	0	129	430.457	6	↓ MOL2 SDF SMILES Flexibase

36534314

Analogs

36588407
36588408
36534313

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(2,4,6-trihydroxyphenyl)acetam (2S)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	0.37	-14.5	4	9	0	129	430.457	6	↓ MOL2 SDF SMILES Flexibase

36534317

Analogs

36534318
36572824
36572825
36588411
36588412

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-(1,1,3,3-tetramethylbutyl)-2-(2,4,6-trihydr (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.18	4.3	-14.26	4	9	0	129	486.565	8	↓ MOL2 SDF SMILES Flexibase

36534318

Analogs

36572824
36572825
36588411
36588412
36534317

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-(1,1,3,3-tetramethylbutyl)-2-(2,4,6-trihydr (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.18	3.68	-13.7	4	9	0	129	486.565	8	↓ MOL2 SDF SMILES Flexibase

36534319

Analogs

36534320
36572826
36572827

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(2,4,6-trihydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	1.43	-17.35	4	9	0	129	430.457	8	↓ MOL2 SDF SMILES Flexibase

36534320

Analogs

36572826
36572827
36534319

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(2,4,6-trihydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	0.59	-14.93	4	9	0	129	430.457	8	↓ MOL2 SDF SMILES Flexibase

36534321

Analogs

36534322
36588415
36588416

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-[4-(trifluoromethyl)phenyl]ace (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.13	9.27	-12.79	1	6	0	68	450.457	7	↓ MOL2 SDF SMILES Flexibase

36534322

Analogs

36588415
36588416
36534321

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-[4-(trifluoromethyl)phenyl]ace (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.13	9.13	-14.19	1	6	0	68	450.457	7	↓ MOL2 SDF SMILES Flexibase

36534325

Analogs

36534326
36572832
36572833

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-(1,1,3,3-tetramethylbutyl)-2-[4-(trifluorom (2R)-2-[[2-(1,3-benzodioxol-5-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)	5.72	12.23	-12.31	1	6	0	68	506.565	9	↓ MOL2 SDF SMILES Flexibase

36534326

Analogs

36572832
36572833
36534325

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-(1,1,3,3-tetramethylbutyl)-2-[4-(trifluorom (2S)-2-[[2-(1,3-benzodioxol-5-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)	5.72	12.33	-13.64	1	6	0	68	506.565	9	↓ MOL2 SDF SMILES Flexibase

36534327

Analogs

36534328
36572834
36572835

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-[4-(trifluoromethyl)phenyl]acetamid (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.38	9.51	-13.27	1	6	0	68	450.457	9	↓ MOL2 SDF SMILES Flexibase

36534328

Analogs

36572834
36572835
36534327

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-[4-(trifluoromethyl)phenyl]acetamid (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.38	9.36	-14.72	1	6	0	68	450.457	9	↓ MOL2 SDF SMILES Flexibase

36534329

Analogs

36534330
36572836
36572837
36588421
36588422

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(o-tolyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.63	8.91	-13.05	1	6	0	68	396.487	6	↓ MOL2 SDF SMILES Flexibase

36534330

Analogs

36572836
36572837
36588421
36588422
36534329

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(o-tolyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.63	8.78	-12.26	1	6	0	68	396.487	6	↓ MOL2 SDF SMILES Flexibase

36534335

Analogs

36534336
36572840
36572841
36588425
36588426

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(o-tolyl)-N-(1,1,3,3-tetramethylbutyl)aceta (2S)-2-[[2-(1,3-benzodioxol-5-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)	5.23	12.45	-12.23	1	6	0	68	452.595	8	↓ MOL2 SDF SMILES Flexibase

36534336

Analogs

36572840
36572841
36588425
36588426
36534335

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(o-tolyl)-N-(1,1,3,3-tetramethylbutyl)aceta (2R)-2-[[2-(1,3-benzodioxol-5-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)	5.23	11.89	-11.44	1	6	0	68	452.595	8	↓ MOL2 SDF SMILES Flexibase

36534337

Analogs

36534338
36572842
36572843
36588427
36588428

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(o-tolyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.88	8.82	-12.41	1	6	0	68	396.487	8	↓ MOL2 SDF SMILES Flexibase

36534338

Analogs

36572842
36572843
36588427
36588428
36534337

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(o-tolyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.88	8.94	-13.03	1	6	0	68	396.487	8	↓ MOL2 SDF SMILES Flexibase

36534339

Analogs

36534340
36588429
36588430

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(2-hydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.17	5.37	-13.95	2	7	0	88	398.459	6	↓ MOL2 SDF SMILES Flexibase

36534340

Analogs

36588429
36588430
36534339

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(2-hydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.17	5.8	-15.84	2	7	0	88	398.459	6	↓ MOL2 SDF SMILES Flexibase

36534345

Analogs

36534346
36572848
36572849
36588433
36588434

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(2-hydroxyphenyl)-N-(1,1,3,3-tetramethylbut (2R)-2-[[2-(1,3-benzodioxol-5-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)	4.77	8.28	-13.06	2	7	0	88	454.567	8	↓ MOL2 SDF SMILES Flexibase

36534346

Analogs

36572848
36572849
36588433
36588434
36534345

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-2-(2-hydroxyphenyl)-N-(1,1,3,3-tetramethylbut (2S)-2-[[2-(1,3-benzodioxol-5-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)	4.77	8.98	-15.48	2	7	0	88	454.567	8	↓ MOL2 SDF SMILES Flexibase

36534347

Analogs

36534348
36572850
36572851

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(2-hydroxyphenyl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.42	5.47	-14.07	2	7	0	88	398.459	8	↓ MOL2 SDF SMILES Flexibase

36534348

Analogs

36572850
36572851
36534347

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(2-hydroxyphenyl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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)	3.42	6.06	-16.32	2	7	0	88	398.459	8	↓ MOL2 SDF SMILES Flexibase

36534387

Analogs

36534388
36534479
36534480
36534505
36534506

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-phenyl-acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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)	3.23	8.27	-12.7	1	6	0	68	382.46	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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