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ZINC Item

Suppliers, Protomers, & Similar Substances

19988249

Analogs

26067787
26067790

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-benzyl-2-[(2S)-6-chloro-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)	3.25	7.22	-13.72	1	5	0	59	344.798	4	↓ MOL2 SDF SMILES Flexibase

19988253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-benzyl-2-[(2R)-6-chloro-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)	3.25	7.3	-11.74	1	5	0	59	344.798	4	↓ MOL2 SDF SMILES Flexibase

19990188

Analogs

26071763
26071766
26071769
26075505
26075509

Draw Identity 99% 90% 80% 70%

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

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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)	3.16	7.69	-16.91	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

19990192

Analogs

26071763
26071766
26071769
26075505
26075509

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[(2R)-2-methyl-3-oxo-1,4-benzo…

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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)	3.16	7.69	-16.21	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

19990195

Analogs

26071763
26071766
26071769
26075505
26075509

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[(2S)-2-methyl-3-oxo-1,4-benzo…

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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)	3.16	7.58	-16.92	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

19990198

Analogs

26071763
26071766
26071769
26075505
26075509

Draw Identity 99% 90% 80% 70%

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

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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)	3.16	7.59	-16.21	1	5	0	59	324.38	4	↓ MOL2 SDF SMILES Flexibase

19990201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[(2R)-6-chloro-2-methyl-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)	3.81	8.19	-14.75	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

19990204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[(2R)-6-chloro-2-methyl-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)	3.81	8.2	-14.27	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

19990206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[(2S)-6-chloro-2-methyl-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)	3.81	8.08	-12.52	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

19990210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[(2S)-6-chloro-2-methyl-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)	3.81	8.1	-14.39	1	5	0	59	358.825	4	↓ MOL2 SDF SMILES Flexibase

19990214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[(2R)-2,6-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)	3.58	8.35	-16.54	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

19990216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[(2R)-2,6-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)	3.58	8.35	-15.83	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

19990220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[(2S)-2,6-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)	3.58	8.25	-16.62	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

19990223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[(2S)-2,6-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)	3.58	8.23	-13.99	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

19990249

Analogs

31481126
31795941
4929607
4454782

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-methyl-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide N-benzyl-N-methyl-2-(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)	1.98	8.12	-13.52	0	5	0	50	310.353	4	↓ MOL2 SDF SMILES Flexibase

19990252

Analogs

25385002
25385007
25385013
25385018
25468906

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-benzyl-N-methyl-2-[(2S)-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)	2.34	8.91	-17.53	0	5	0	50	324.38	4	↓ MOL2 SDF SMILES Flexibase

19990255

Analogs

25385002
25385007
25385013
25385018
25468906

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-benzyl-N-methyl-2-[(2R)-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)	2.34	9.01	-17.45	0	5	0	50	324.38	4	↓ MOL2 SDF SMILES Flexibase

19990259

Analogs

26071927
26071930

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2S)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-methyl-acetamide N-benzyl-2-[(2S)-6-chloro-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)	3.00	9.42	-15.33	0	5	0	50	358.825	4	↓ MOL2 SDF SMILES Flexibase

19990262

Analogs

26071927
26071930

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2R)-6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-methyl-acetamide N-benzyl-2-[(2R)-6-chloro-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)	3.00	9.5	-12.25	0	5	0	50	358.825	4	↓ MOL2 SDF SMILES Flexibase

19990264

Analogs

4970768

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2S)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-methyl-acetamide N-benzyl-2-[(2S)-2,6-dimethyl-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)	2.77	9.57	-17.2	0	5	0	50	338.407	4	↓ MOL2 SDF SMILES Flexibase

19990268

Analogs

4970768

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]-N-methyl-acetamide N-benzyl-2-[(2R)-2,6-dimethyl-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)	2.77	9.65	-13.28	0	5	0	50	338.407	4	↓ MOL2 SDF SMILES Flexibase

22689493

Analogs

22190459
22190461
22190538

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(o-tolylmethyl)acetamide N-methyl-2-[(2S)-2-methyl-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)	2.74	10.03	-14.39	0	5	0	50	338.407	4	↓ MOL2 SDF SMILES Flexibase

22689497

Analogs

22190459
22190461
22190538

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(o-tolylmethyl)acetamide N-methyl-2-[(2R)-2-methyl-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)	2.74	10.16	-17	0	5	0	50	338.407	4	↓ MOL2 SDF SMILES Flexibase

22690375

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	8.32	-18.23	0	6	0	59	354.406	5	↓ MOL2 SDF SMILES Flexibase

22690378

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	8.23	-18.37	0	6	0	59	354.406	5	↓ MOL2 SDF SMILES Flexibase

36638554

Analogs

36638627
36638629

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-[(3-fluorophenyl)methyl]-N-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)	2.48	8.94	-12.12	0	5	0	50	342.37	4	↓ MOL2 SDF SMILES Flexibase

36638556

Analogs

36638627
36638629

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-[(3-fluorophenyl)methyl]-N-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)	2.48	8.85	-12.19	0	5	0	50	342.37	4	↓ MOL2 SDF SMILES Flexibase

36638627

Analogs

36638629
36638554
36638556

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-ethyl-N-[(3-fluorophenyl)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)	2.86	9.87	-16.55	0	5	0	50	356.397	5	↓ MOL2 SDF SMILES Flexibase

36638629

Analogs

36638554
36638556
36638627

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide N-ethyl-N-[(3-fluorophenyl)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)	2.86	9.77	-16.57	0	5	0	50	356.397	5	↓ MOL2 SDF SMILES Flexibase

13257012

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[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)	2.08	8.32	-60.14	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13257013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[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)	2.08	7.76	-61.54	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13257014

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[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)	2.08	7.58	-58.3	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13257015

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[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)	2.08	8.54	-52.44	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13257360

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-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)	1.04	7.22	-57.17	1	9	-1	117	427.433	8	↓ MOL2 SDF SMILES Flexibase

13257361

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-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)	1.04	6.44	-67.17	1	9	-1	117	427.433	8	↓ MOL2 SDF SMILES Flexibase

13257362

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-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)	1.04	6.32	-66.5	1	9	-1	117	427.433	8	↓ MOL2 SDF SMILES Flexibase

13257363

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-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)	1.04	6.32	-63.32	1	9	-1	117	427.433	8	↓ MOL2 SDF SMILES Flexibase

22745364

Analogs

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Popular Name: N-benzyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-propyl-acetamide N-benzyl-2-(6-chloro-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)	3.51	10.33	-11.95	0	5	0	50	372.852	6	↓ MOL2 SDF SMILES Flexibase

13257951

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[2-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	7.86	-60.25	1	7	-1	99	385.371	6	↓ MOL2 SDF SMILES Flexibase

13257952

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[2-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	7.31	-61.69	1	7	-1	99	385.371	6	↓ MOL2 SDF SMILES Flexibase

13257953

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[2-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	7.13	-58.4	1	7	-1	99	385.371	6	↓ MOL2 SDF SMILES Flexibase

13257954

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[2-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	8.09	-52.55	1	7	-1	99	385.371	6	↓ MOL2 SDF SMILES Flexibase

13258347

Analogs

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Popular Name: (3S)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[2-[(2S)-2-methyl-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)	1.85	8.47	-63.51	1	7	-1	99	381.408	6	↓ MOL2 SDF SMILES Flexibase

13258348

Analogs

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Popular Name: (3S)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[2-[(2R)-2-methyl-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)	1.85	7.92	-65.12	1	7	-1	99	381.408	6	↓ MOL2 SDF SMILES Flexibase

13258349

Analogs

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Popular Name: (3R)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[2-[(2S)-2-methyl-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)	1.85	7.74	-61.85	1	7	-1	99	381.408	6	↓ MOL2 SDF SMILES Flexibase

13258350

Analogs

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Popular Name: (3R)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[2-[(2R)-2-methyl-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)	1.85	8.7	-55.6	1	7	-1	99	381.408	6	↓ MOL2 SDF SMILES Flexibase

13259291

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[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)	2.03	8.48	-66.04	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13259292

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[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)	2.03	8.53	-65.66	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13259293

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[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)	2.03	8.46	-63.81	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

13259294

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[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)	2.03	8.6	-56.83	1	7	-1	99	401.826	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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