ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12223497

Analogs

12223921

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-2-(4-methoxyphenyl)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)	2.62	-0.02	-18.25	1	6	0	68	340.379	5	↓ MOL2 SDF SMILES Flexibase

12223498

Analogs

12223924

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)acetamide 2-(4-methoxyphenyl)-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)	3.13	0.05	-18.12	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

12223499

Analogs

12223927

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isobutyl-3-oxo-1,4-benzoxazin-7-yl)-2-(4-methoxyphenyl)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)	3.37	0.24	-17.69	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12223500

Analogs

12223931

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-methoxyphenyl)-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)	3.44	0.71	-17.99	1	6	0	68	366.417	6	↓ MOL2 SDF SMILES Flexibase

12223523

Analogs

12223524
12223538
12223539
12224016
12224023

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]acetamide 2-(4-methoxyphenyl)-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)	3.49	0.24	-17.05	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12223524

Analogs

12223538
12223539
12224016
12224023
12224064

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]acetamide 2-(4-methoxyphenyl)-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)	3.49	0.23	-17.27	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12223526

Analogs

12223529
12224029
12224033
12172191
12172197

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	3.73	0.56	-16.96	1	6	0	68	382.46	6	↓ MOL2 SDF SMILES Flexibase

12223529

Analogs

12224029
12224033
12172191
12172197
12223526

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	3.73	0.42	-16.89	1	6	0	68	382.46	6	↓ MOL2 SDF SMILES Flexibase

12223531

Analogs

12223533
12224039
12224045
12172201
12172205

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-methoxyphenyl)-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)	3.80	0.94	-17.58	1	6	0	68	380.444	6	↓ MOL2 SDF SMILES Flexibase

12223533

Analogs

12224039
12224045
12172201
12172205
12223531

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-methoxyphenyl)-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)	3.80	0.89	-17.73	1	6	0	68	380.444	6	↓ MOL2 SDF SMILES Flexibase

12223534

Analogs

12223536
12224052
12224059
12172210
12172214

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	3.25	0.57	-17.29	1	6	0	68	366.417	6	↓ MOL2 SDF SMILES Flexibase

12223536

Analogs

12224052
12224059
12172210
12172214
12223534

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	3.25	0.61	-16.9	1	6	0	68	366.417	6	↓ MOL2 SDF SMILES Flexibase

12223538

Analogs

12223539
12224016
12224023
12224064
12224068

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.99	0.23	-17.91	1	6	0	68	354.406	5	↓ MOL2 SDF SMILES Flexibase

12223539

Analogs

12224016
12224023
12224064
12224068
12172220

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.99	0.16	-18.01	1	6	0	68	354.406	5	↓ MOL2 SDF SMILES Flexibase

12223542

Analogs

12223544
12224076
12224081
12172232
12172238

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.61	0	-17.53	1	6	0	68	340.379	4	↓ MOL2 SDF SMILES Flexibase

12223544

Analogs

12224076
12224081
12172232
12172238
12223542

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.61	-0.05	-18.09	1	6	0	68	340.379	4	↓ MOL2 SDF SMILES Flexibase

12223547

Analogs

12223548
3651975
3651976
12172250

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.64	0.67	-54.64	2	7	1	72	398.483	7	↓ MOL2 SDF SMILES Flexibase

12223548

Analogs

3651975
3651976
12172250

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-4-(2-dimethylaminoethyl)-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.64	0.63	-54.22	2	7	1	72	398.483	7	↓ MOL2 SDF SMILES Flexibase

12223550

Analogs

12224098

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-yl]-2-(4-methoxyphenyl)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)	2.28	0.5	-51.44	2	7	1	72	384.456	7	↓ MOL2 SDF SMILES Flexibase

12223921

Analogs

12223497

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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	0	-17.7	1	6	0	68	354.406	6	↓ MOL2 SDF SMILES Flexibase

12223924

Analogs

12223498

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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)	3.50	0.06	-17.54	1	6	0	68	368.433	7	↓ MOL2 SDF SMILES Flexibase

12223927

Analogs

12223499

Draw Identity 99% 90% 80% 70%

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

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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	0.25	-17.12	1	6	0	68	382.46	7	↓ MOL2 SDF SMILES Flexibase

12223931

Analogs

12223500

Draw Identity 99% 90% 80% 70%

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

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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)	3.81	0.7	-17.47	1	6	0	68	380.444	7	↓ MOL2 SDF SMILES Flexibase

12224016

Analogs

12224023
12224064
12224068
12172179
12172185

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[(2R)-2-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)	3.86	0.26	-17.01	1	6	0	68	382.46	7	↓ MOL2 SDF SMILES Flexibase

12224023

Analogs

12224064
12224068
12172179
12172185
12223524

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[(2S)-2-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)	3.86	0.25	-17.16	1	6	0	68	382.46	7	↓ MOL2 SDF SMILES Flexibase

12224029

Analogs

12224033
12172191
12172197
12223526
12223529

Draw Identity 99% 90% 80% 70%

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

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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)	4.11	0.58	-16.87	1	6	0	68	396.487	7	↓ MOL2 SDF SMILES Flexibase

12224033

Analogs

12172191
12172197
12223526
12223529
12224029

Draw Identity 99% 90% 80% 70%

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

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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)	4.11	0.43	-16.75	1	6	0	68	396.487	7	↓ MOL2 SDF SMILES Flexibase

12224039

Analogs

12224045
12172201
12172205
12223531
12223533

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-[(2R)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[(2R)-2-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)	4.18	0.96	-17.46	1	6	0	68	394.471	7	↓ MOL2 SDF SMILES Flexibase

12224045

Analogs

12172201
12172205
12223531
12223533
12224039

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-[(2S)-2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[(2S)-2-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)	4.18	0.91	-17.57	1	6	0	68	394.471	7	↓ MOL2 SDF SMILES Flexibase

12224052

Analogs

12224059
12172210
12172214
12223534
12223536

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-ethoxyphenyl)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)	3.63	0.58	-17.23	1	6	0	68	380.444	7	↓ MOL2 SDF SMILES Flexibase

12224059

Analogs

12172210
12172214
12223534
12223536
12224052

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Popular Name: N-[(2S)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-ethoxyphenyl)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)	3.63	0.63	-16.84	1	6	0	68	380.444	7	↓ MOL2 SDF SMILES Flexibase

12224064

Analogs

12224068
12172220
12172225
12223524
12223538

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Popular Name: 2-(4-ethoxyphenyl)-N-[(2R)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[(2R)-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)	3.36	0.24	-17.85	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12224068

Analogs

12172220
12172225
12223524
12223538
12223539

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Popular Name: 2-(4-ethoxyphenyl)-N-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl]acetamide 2-(4-ethoxyphenyl)-N-[(2S)-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)	3.36	0.18	-17.89	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

12224076

Analogs

12224081
12172232
12172238
12223542
12223544

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Popular Name: N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-ethoxyphenyl)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)	2.99	0.01	-17.47	1	6	0	68	354.406	5	↓ MOL2 SDF SMILES Flexibase

12224081

Analogs

12172232
12172238
12223542
12223544
12224076

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-7-yl]-2-(4-ethoxyphenyl)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)	2.99	-0.04	-18.02	1	6	0	68	354.406	5	↓ MOL2 SDF SMILES Flexibase

12224098

Analogs

12223550

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-dimethylaminoethyl)-3-oxo-1,4-benzoxazin-7-yl]-2-(4-ethoxyphenyl)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)	2.65	0.52	-52.21	2	7	1	72	398.483	8	↓ MOL2 SDF SMILES Flexibase

24570452

Analogs

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Popular Name: (2R)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-phenyl-butanamide (2R)-N-(6-chloro-3-oxo-4H-1,4-be…

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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)	3.69	6.12	-9.87	2	5	0	67	344.798	4	↓ MOL2 SDF SMILES Flexibase

24570454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-phenyl-butanamide (2S)-N-(6-chloro-3-oxo-4H-1,4-be…

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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)	3.69	6.22	-10.44	2	5	0	67	344.798	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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