ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

12226108

Analogs

12295216
12295602
16679916
37114545
6249582

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-2-phenoxy-acetamide N-(4-ethyl-3-oxo-1,4-benzoxazin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	-0.03	-18.89	1	6	0	68	326.352	5	↓ MOL2 SDF SMILES Flexibase

12226115

Analogs

12295218
12295603
16890752
31947184

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)-2-phenoxy-acetamide N-(3-oxo-4-propyl-1,4-benzoxazin…

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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)	2.95	0.04	-18.72	1	6	0	68	340.379	6	↓ MOL2 SDF SMILES Flexibase

12226123

Analogs

12295222
12295604
16661336
31947201

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)-2-phenoxy-acetamide N-(4-isobutyl-3-oxo-1,4-benzoxaz…

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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)	3.19	0.22	-18.31	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

12226131

Analogs

12295224
12295605
16661271
31947210

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[4-(2-methylprop-2-enyl)-3-oxo…

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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	0.7	-18.67	1	6	0	68	352.39	6	↓ MOL2 SDF SMILES Flexibase

12226274

Analogs

12226285
12295264
12295627
12295629
12295790

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-2-methyl-3-oxo-4-propyl-…

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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)	3.31	0.27	-18.32	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

12226285

Analogs

12295264
12295627
12295629
12295790
12295791

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-2-methyl-3-oxo-4-propyl-…

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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)	3.31	0.23	-18.42	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

12226292

Analogs

12226299
12295792
12295793
16676848
16676849

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-4-isobutyl-2-methyl-3-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)	3.55	0.45	-17.98	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12226299

Analogs

12295792
12295793
16676848
16676849
12118541

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-4-isobutyl-2-methyl-3-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)	3.55	0.45	-18.54	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12226305

Analogs

12226316
12295633
12295634
12295794
12295795

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-2-methyl-4-(2-methylprop…

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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)	3.62	0.88	-18.89	1	6	0	68	366.417	6	↓ MOL2 SDF SMILES Flexibase

12226316

Analogs

12295633
12295634
12295794
12295795
16676846

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-2-methyl-4-(2-methylprop…

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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)	3.62	0.93	-18.74	1	6	0	68	366.417	6	↓ MOL2 SDF SMILES Flexibase

12226325

Analogs

12226333
12295277
12295635
12295637
12295796

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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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)	3.08	0.61	-18.01	1	6	0	68	352.39	6	↓ MOL2 SDF SMILES Flexibase

12226333

Analogs

12295277
12295635
12295637
12295796
12295797

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-4-allyl-2-methyl-3-oxo-1…

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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)	3.08	0.65	-17.91	1	6	0	68	352.39	6	↓ MOL2 SDF SMILES Flexibase

12226340

Analogs

12226348
12295639
12295641
12295790
12295798

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-4-ethyl-2-methyl-3-oxo-1…

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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)	2.81	0.21	-19.06	1	6	0	68	340.379	5	↓ MOL2 SDF SMILES Flexibase

12226348

Analogs

12295639
12295641
12295790
12295798
12295799

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-4-ethyl-2-methyl-3-oxo-1…

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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)	2.81	0.09	-18.85	1	6	0	68	340.379	5	↓ MOL2 SDF SMILES Flexibase

12226357

Analogs

12226362
12295284
12295642
12295644
12295800

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-2,4-dimethyl-3-oxo-1,4-b…

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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)	2.43	-0.08	-18.54	1	6	0	68	326.352	4	↓ MOL2 SDF SMILES Flexibase

12226362

Analogs

12295284
12295642
12295644
12295800
12295801

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-2,4-dimethyl-3-oxo-1,4-b…

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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)	2.43	-0.03	-18.57	1	6	0	68	326.352	4	↓ MOL2 SDF SMILES Flexibase

12226368

Analogs

12226375
12295646
12295647
12295802
12295803

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2S)-4-(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)	2.46	0.68	-53.97	2	7	1	72	384.456	7	↓ MOL2 SDF SMILES Flexibase

12226375

Analogs

12295646
12295647
12295802
12295803
16676852

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[(2R)-4-(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)	2.46	0.66	-56.3	2	7	1	72	384.456	7	↓ MOL2 SDF SMILES Flexibase

12226383

Analogs

12295649
16689638
31879547
31947184
31947193

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-yl]-2-phenoxy-acetamide N-[4-(2-dimethylaminoethyl)-3-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)	2.10	0.49	-54.16	2	7	1	72	370.429	7	↓ MOL2 SDF SMILES Flexibase

12227368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)acetamide 2-(4-chlorophenoxy)-N-(4-ethyl-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)	3.12	-0.18	-19.18	1	6	0	68	360.797	5	↓ MOL2 SDF SMILES Flexibase

12227373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)acetamide 2-(4-chlorophenoxy)-N-(3-oxo-4-p…

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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)	3.62	-0.11	-19.13	1	6	0	68	374.824	6	↓ MOL2 SDF SMILES Flexibase

12227378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)acetamide 2-(4-chlorophenoxy)-N-(4-isobuty…

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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)	3.87	0.07	-18.67	1	6	0	68	388.851	6	↓ MOL2 SDF SMILES Flexibase

12227385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[4-(2-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	0.55	-18.98	1	6	0	68	386.835	6	↓ MOL2 SDF SMILES Flexibase

12227507

Analogs

12227518
12227569
12227574

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[(2R)-2-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)	3.99	0.12	-18.17	1	6	0	68	388.851	6	↓ MOL2 SDF SMILES Flexibase

12227518

Analogs

12227569
12227574
12227507

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[(2S)-2-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)	3.99	0.08	-18.29	1	6	0	68	388.851	6	↓ MOL2 SDF SMILES Flexibase

12227554

Analogs

12227560

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-chlorophenoxy)acetamide N-[(2S)-4-allyl-2-methyl-3-oxo-1…

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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)	3.75	0.46	-17.8	1	6	0	68	386.835	6	↓ MOL2 SDF SMILES Flexibase

12227560

Analogs

12227554

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-chlorophenoxy)acetamide N-[(2R)-4-allyl-2-methyl-3-oxo-1…

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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)	3.75	0.5	-17.75	1	6	0	68	386.835	6	↓ MOL2 SDF SMILES Flexibase

12227569

Analogs

12227574
12227507
12227518

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[(2R)-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	0.06	-18.85	1	6	0	68	374.824	5	↓ MOL2 SDF SMILES Flexibase

12227574

Analogs

12227507
12227518
12227569

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[(2S)-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	-0.05	-15.26	1	6	0	68	374.824	5	↓ MOL2 SDF SMILES Flexibase

12227581

Analogs

12227586

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[(2S)-2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	-0.22	-18.42	1	6	0	68	360.797	4	↓ MOL2 SDF SMILES Flexibase

12227586

Analogs

12227581

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenoxy)-N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-chlorophenoxy)-N-[(2R)-2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	-0.18	-18.35	1	6	0	68	360.797	4	↓ MOL2 SDF SMILES Flexibase

12228595

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(4-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)	3.73	-0.28	-21.44	1	6	0	68	395.242	5	↓ MOL2 SDF SMILES Flexibase

12228804

Analogs

12228810

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Popular Name: 2-(2,4-dichlorophenoxy)-N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(2,4-dichlorophenoxy)-N-[(2S)-…

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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)	3.71	-0.33	-20.46	1	6	0	68	395.242	4	↓ MOL2 SDF SMILES Flexibase

12228810

Analogs

12228804

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(2,4-dichlorophenoxy)-N-[(2R)-…

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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)	3.71	-0.28	-20.49	1	6	0	68	395.242	4	↓ MOL2 SDF SMILES Flexibase

24570476

Analogs

25748259
37005272
37005276

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-ethoxyphenoxy)acetamide N-(6-chloro-3-oxo-4H-1,4-benzoxa…

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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)	2.42	5.5	-17.15	2	7	0	86	376.796	6	↓ MOL2 SDF SMILES Flexibase

24570635

Analogs

25748251

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-bromo-4-chloro-phenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide (2R)-2-(2-bromo-4-chloro-phenoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	6.53	-17.56	2	6	0	77	460.111	4	↓ MOL2 SDF SMILES Flexibase

24570637

Analogs

25748251

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-bromo-4-chloro-phenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide (2S)-2-(2-bromo-4-chloro-phenoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	6.56	-17.98	2	6	0	77	460.111	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 95245
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 95245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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