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ZINC Item

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1384570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-2-phenylacetate methyl 2-{[(2-methyl-3-oxo-3,4-d…

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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)	1.97	0.02	-15.69	2	7	0	93	354.362	5	↓ MOL2 SDF SMILES Flexibase

1384571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-2-phenylacetate methyl 2-{[(2-methyl-3-oxo-3,4-d…

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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)	1.97	-0.76	-14.37	2	7	0	93	354.362	5	↓ MOL2 SDF SMILES Flexibase

1384572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-2-phenylacetate methyl 2-{[(2-methyl-3-oxo-3,4-d…

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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)	1.97	0.02	-17.27	2	7	0	93	354.362	5	↓ MOL2 SDF SMILES Flexibase

1384573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-2-phenylacetate methyl 2-{[(2-methyl-3-oxo-3,4-d…

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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)	1.97	-0.77	-15.02	2	7	0	93	354.362	5	↓ MOL2 SDF SMILES Flexibase

1384581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorobenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide N-(3,4-dichlorobenzyl)-2-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)	3.21	6.99	-12.64	2	5	0	67	365.216	3	↓ MOL2 SDF SMILES Flexibase

1384582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorobenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide N-(3,4-dichlorobenzyl)-2-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)	3.21	5.45	-12	2	5	0	67	365.216	3	↓ MOL2 SDF SMILES Flexibase

1384618

Analogs

6922849
6922850

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide N-benzyl-2-methyl-3-oxo-3,4-dihy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	6.02	-12.66	2	5	0	67	296.326	3	↓ MOL2 SDF SMILES Flexibase

1385097

Analogs

4073008

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide N-(3-methoxybenzyl)-2-methyl-3-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	5.32	-13.72	2	6	0	77	326.352	4	↓ MOL2 SDF SMILES Flexibase

41545081

Analogs

41545084

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-N-isopropyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-benzyl-N-isopropyl-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)	2.84	9.08	-13.64	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

41545084

Analogs

41545081

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-N-isopropyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-benzyl-N-isopropyl-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)	2.84	7.48	-12.53	1	5	0	59	338.407	4	↓ MOL2 SDF SMILES Flexibase

41545935

Analogs

41545938
41545941
41545944

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(1S)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(1S)-1-ph…

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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	7.36	-12.26	2	5	0	67	324.38	4	↓ MOL2 SDF SMILES Flexibase

41545938

Analogs

41545941
41545944
41545935

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(1R)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(1R)-1-ph…

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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	7.35	-12.63	2	5	0	67	324.38	4	↓ MOL2 SDF SMILES Flexibase

41545941

Analogs

41545944
41545935
41545938

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(1S)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(1S)-1-ph…

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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	5.96	-11.39	2	5	0	67	324.38	4	↓ MOL2 SDF SMILES Flexibase

41545944

Analogs

41545935
41545938
41545941

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(1R)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(1R)-1-ph…

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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	5.95	-11.55	2	5	0	67	324.38	4	↓ MOL2 SDF SMILES Flexibase

41545947

Analogs

41545950
41545953
41545956

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1S)-1-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	6.16	-13.84	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41545950

Analogs

41545953
41545956
41545947

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1R)-1-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	6.15	-14.14	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41545953

Analogs

41545956
41545947
41545950

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S)-1-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	4.64	-12.78	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41545956

Analogs

41545947
41545950
41545953

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R)-1-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	4.62	-13.11	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41545959

Analogs

41545962
41545965
41545968

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1R)-1-(4-isopropylpheny…

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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)	4.00	8.79	-12.98	2	5	0	67	352.434	4	↓ MOL2 SDF SMILES Flexibase

41545962

Analogs

41545965
41545968
41545959

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1S)-1-(4-isopropylpheny…

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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)	4.00	8.79	-12.55	2	5	0	67	352.434	4	↓ MOL2 SDF SMILES Flexibase

41545965

Analogs

41545968
41545959
41545962

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R)-1-(4-isopropylpheny…

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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)	4.00	7.26	-11.77	2	5	0	67	352.434	4	↓ MOL2 SDF SMILES Flexibase

41545968

Analogs

41545959
41545962
41545965

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S)-1-(4-isopropylpheny…

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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)	4.00	7.27	-11.55	2	5	0	67	352.434	4	↓ MOL2 SDF SMILES Flexibase

41545983

Analogs

41545987
41545990
41545994

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1S)-1-(2,5-dimethoxyphe…

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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)	2.53	5.54	-15.38	2	7	0	86	370.405	5	↓ MOL2 SDF SMILES Flexibase

41545987

Analogs

41545990
41545994
41545983

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1R)-1-(2,5-dimethoxyphe…

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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)	2.53	5.54	-15.69	2	7	0	86	370.405	5	↓ MOL2 SDF SMILES Flexibase

41545990

Analogs

41545994
41545983
41545987

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S)-1-(2,5-dimethoxyphe…

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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)	2.53	4.03	-14.22	2	7	0	86	370.405	5	↓ MOL2 SDF SMILES Flexibase

41545994

Analogs

41545983
41545987
41545990

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R)-1-(2,5-dimethoxyphe…

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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)	2.53	4.01	-14.27	2	7	0	86	370.405	5	↓ MOL2 SDF SMILES Flexibase

41545997

Analogs

41546000
41546003
41546006

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1R)-1-(2,4-dimethylphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	8.02	-13.21	2	5	0	67	338.407	3	↓ MOL2 SDF SMILES Flexibase

41546000

Analogs

41546003
41546006
41545997

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1S)-1-(2,4-dimethylphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	8.11	-12.87	2	5	0	67	338.407	3	↓ MOL2 SDF SMILES Flexibase

41546003

Analogs

41546006
41545997
41546000

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R)-1-(2,4-dimethylphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	6.49	-11.98	2	5	0	67	338.407	3	↓ MOL2 SDF SMILES Flexibase

41546006

Analogs

41545997
41546000
41546003

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S)-1-(2,4-dimethylphen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	6.58	-11.9	2	5	0	67	338.407	3	↓ MOL2 SDF SMILES Flexibase

41546009

Analogs

41546012
41546015
41546018

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1S)-1-(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.15	-14.75	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41546012

Analogs

41546015
41546018
41546009

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1R)-1-(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.14	-15.41	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41546015

Analogs

41546018
41546009
41546012

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S)-1-(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	4.63	-13.92	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41546018

Analogs

41546009
41546012
41546015

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1R)-1-(3-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	4.62	-14.21	2	6	0	77	340.379	4	↓ MOL2 SDF SMILES Flexibase

41546411

Analogs

41546414
41546417
41546420

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Popular Name: (2S)-N-[(1S)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2S)-N-[(1S)-3-(dimethylamino)-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)	1.67	7.24	-42.79	3	6	1	72	386.447	6	↓ MOL2 SDF SMILES Flexibase

41546414

Analogs

41546417
41546420
41546411

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2R)-N-[(1S)-3-(dimethylamino)-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)	1.67	8.65	-39.24	3	6	1	72	386.447	6	↓ MOL2 SDF SMILES Flexibase

41546417

Analogs

41546420
41546411
41546414

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2S)-N-[(1R)-3-(dimethylamino)-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)	1.67	7.25	-43.56	3	6	1	72	386.447	6	↓ MOL2 SDF SMILES Flexibase

41546420

Analogs

41546411
41546414
41546417

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxa (2R)-N-[(1R)-3-(dimethylamino)-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)	1.67	8.63	-43.07	3	6	1	72	386.447	6	↓ MOL2 SDF SMILES Flexibase

41546631

Analogs

41546634

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[[2-(trifl…

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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	5.69	-12.9	2	5	0	67	364.323	4	↓ MOL2 SDF SMILES Flexibase

41546634

Analogs

41546631

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[[2-(trifl…

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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	7.43	-14.01	2	5	0	67	364.323	4	↓ MOL2 SDF SMILES Flexibase

41546790

Analogs

41546793

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(4-sulfamoylphenyl)methyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(4-sulfam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	-0.56	-19.68	4	8	0	128	375.406	4	↓ MOL2 SDF SMILES Flexibase

41546793

Analogs

41546790

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(4-sulfamoylphenyl)methyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(4-sulfam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	0.98	-20.36	4	8	0	128	375.406	4	↓ MOL2 SDF SMILES Flexibase

41546813

Analogs

41546816

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[[3-(trifl…

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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)	2.80	5.5	-12.35	2	5	0	67	364.323	4	↓ MOL2 SDF SMILES Flexibase

41546816

Analogs

41546813

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[[3-(trifl…

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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)	2.80	7.04	-13.18	2	5	0	67	364.323	4	↓ MOL2 SDF SMILES Flexibase

41547555

Analogs

41547558
41547561
41547564

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-3-oxo-N-[(1S)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-3-oxo-N-[(1S)-…

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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)	2.51	8.02	-11.75	2	5	0	67	338.407	4	↓ MOL2 SDF SMILES Flexibase

41547558

Analogs

41547561
41547564
41547555

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-3-oxo-N-[(1R)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2,6-dimethyl-3-oxo-N-[(1R)-…

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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)	2.51	8.01	-12.28	2	5	0	67	338.407	4	↓ MOL2 SDF SMILES Flexibase

41547561

Analogs

41547564
41547555
41547558

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-3-oxo-N-[(1S)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-3-oxo-N-[(1S)-…

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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)	2.51	6.63	-11.13	2	5	0	67	338.407	4	↓ MOL2 SDF SMILES Flexibase

41547564

Analogs

41547555
41547558
41547561

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-dimethyl-3-oxo-N-[(1R)-1-phenylpropyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2,6-dimethyl-3-oxo-N-[(1R)-…

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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)	2.51	6.61	-11.16	2	5	0	67	338.407	4	↓ MOL2 SDF SMILES Flexibase

41547567

Analogs

41547570
41547573
41547576
40778747
40778750

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(1S)-1-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.97	6.83	-13.4	2	6	0	77	354.406	4	↓ MOL2 SDF SMILES Flexibase

41547570

Analogs

41547573
41547576
40778747
40778750
40778753

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(1S)-1-(4-methoxyphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.97	5.29	-12.47	2	6	0	77	354.406	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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