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ZINC Item

Suppliers, Protomers, & Similar Substances

41545395

Analogs

41545398

Draw Identity 99% 90% 80% 70%

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

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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)	2.27	2.97	-15.32	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

41545398

Analogs

41545395

Draw Identity 99% 90% 80% 70%

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

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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)	2.27	4.4	-16.16	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

41545401

Analogs

41545404

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chloro-5-methoxy-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-chloro-5-methoxy-pheny…

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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)	2.89	4.27	-13.15	2	6	0	77	346.77	3	↓ MOL2 SDF SMILES Flexibase

41545404

Analogs

41545401

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chloro-5-methoxy-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-chloro-5-methoxy-pheny…

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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)	2.89	5.68	-14.19	2	6	0	77	346.77	3	↓ MOL2 SDF SMILES Flexibase

41545407

Analogs

41545411

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-(3,4,5-tri…

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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)	1.86	3.51	-16.37	2	8	0	95	372.377	5	↓ MOL2 SDF SMILES Flexibase

41545411

Analogs

41545407

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-(3,4,5-tri…

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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)	1.86	4.93	-17.21	2	8	0	95	372.377	5	↓ MOL2 SDF SMILES Flexibase

41545414

Analogs

41545417

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-cyanophenyl)-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)	1.93	4.81	-12	2	6	0	91	307.309	2	↓ MOL2 SDF SMILES Flexibase

41545417

Analogs

41545414

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-cyanophenyl)-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)	1.93	6.22	-12.95	2	6	0	91	307.309	2	↓ MOL2 SDF SMILES Flexibase

41545625

Analogs

41545627

Draw Identity 99% 90% 80% 70%

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

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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)	3.28	6.89	-12.99	2	5	0	67	330.771	2	↓ MOL2 SDF SMILES Flexibase

41545627

Analogs

41545625

Draw Identity 99% 90% 80% 70%

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

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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)	3.28	5.46	-12.17	2	5	0	67	330.771	2	↓ MOL2 SDF SMILES Flexibase

41546381

Analogs

41546384

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[3-(sulfamoylmethyl)phenyl]-4H-1,4-benzoxazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[3-(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)	0.96	0.03	-22.75	4	8	0	128	375.406	4	↓ MOL2 SDF SMILES Flexibase

41546384

Analogs

41546381

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[3-(sulfamoylmethyl)phenyl]-4H-1,4-benzoxazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[3-(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)	0.96	1.45	-23.69	4	8	0	128	375.406	4	↓ MOL2 SDF SMILES Flexibase

41546405

Analogs

41546408
36357539

Draw Identity 99% 90% 80% 70%

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

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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)	1.29	0.54	-18.14	3	8	0	114	375.406	4	↓ MOL2 SDF SMILES Flexibase

41546408

Analogs

36357539
41546405

Draw Identity 99% 90% 80% 70%

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

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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)	1.29	1.96	-18.97	3	8	0	114	375.406	4	↓ MOL2 SDF SMILES Flexibase

41546472

Analogs

41546475

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-carbamoyl-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-carbamoyl-2-methyl-phe…

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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)	1.42	3.45	-24.76	4	7	0	111	339.351	3	↓ MOL2 SDF SMILES Flexibase

41546475

Analogs

41546472

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-carbamoyl-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-carbamoyl-2-methyl-phe…

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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)	1.42	2.02	-24.02	4	7	0	111	339.351	3	↓ MOL2 SDF SMILES Flexibase

41546490

Analogs

41546493

Draw Identity 99% 90% 80% 70%

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

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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	5.36	-12.78	2	5	0	67	350.296	3	↓ MOL2 SDF SMILES Flexibase

41546493

Analogs

41546490

Draw Identity 99% 90% 80% 70%

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

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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	6.79	-13.58	2	5	0	67	350.296	3	↓ MOL2 SDF SMILES Flexibase

41546496

Analogs

41546500
44672110
36752384

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-bromophenyl)-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)	3.01	5	-14.32	2	5	0	67	361.195	2	↓ MOL2 SDF SMILES Flexibase

41546500

Analogs

44672110
36752384
41546496

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-bromophenyl)-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)	3.01	6.41	-14.63	2	5	0	67	361.195	2	↓ MOL2 SDF SMILES Flexibase

41546503

Analogs

41546506

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-fluoro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-fluoro-2-methyl-phenyl…

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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)	2.76	6.74	-15.75	2	5	0	67	314.316	2	↓ MOL2 SDF SMILES Flexibase

41546506

Analogs

41546503

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-fluoro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-fluoro-2-methyl-phenyl…

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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)	2.76	5.32	-15.01	2	5	0	67	314.316	2	↓ MOL2 SDF SMILES Flexibase

41546522

Analogs

41546525
21804587
21804590
21811877

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-chloro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(5-chloro-2-methyl-phenyl…

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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)	3.28	7.2	-14.7	2	5	0	67	330.771	2	↓ MOL2 SDF SMILES Flexibase

41546525

Analogs

21804587
21804590
21811877

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(5-chloro-2-methyl-phenyl…

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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)	3.28	5.78	-13.88	2	5	0	67	330.771	2	↓ MOL2 SDF SMILES Flexibase

41546541

Analogs

41546544
36752384
21818198

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2,4-difluorophenyl)-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)	2.48	4.55	-9.56	2	5	0	67	318.279	2	↓ MOL2 SDF SMILES Flexibase

41546544

Analogs

36752384
21818198
41546541

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2,4-difluorophenyl)-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)	2.48	5.95	-10.45	2	5	0	67	318.279	2	↓ MOL2 SDF SMILES Flexibase

41546546

Analogs

41546549

Draw Identity 99% 90% 80% 70%

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

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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)	2.27	3.07	-15.38	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

41546549

Analogs

41546546

Draw Identity 99% 90% 80% 70%

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

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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)	2.27	4.47	-16.6	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

41546552

Analogs

41546556
37040668
37040666
40804779
40804781

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,6-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2,6-dimethylphenyl)-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)	2.09	7.29	-13.31	2	5	0	67	310.353	2	↓ MOL2 SDF SMILES Flexibase

41546556

Analogs

37040668
37040666
40804779
40804781

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,6-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2,6-dimethylphenyl)-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)	2.09	6.21	-13.04	2	5	0	67	310.353	2	↓ MOL2 SDF SMILES Flexibase

41546583

Analogs

41546586

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

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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)	3.41	7.23	-11.76	2	5	0	67	375.222	2	↓ MOL2 SDF SMILES Flexibase

41546586

Analogs

41546583

Draw Identity 99% 90% 80% 70%

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

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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)	3.41	5.8	-10.58	2	5	0	67	375.222	2	↓ MOL2 SDF SMILES Flexibase

41546589

Analogs

41546592

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Popular Name: (2S)-N-(2-fluoro-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-fluoro-5-methyl-phenyl…

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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)	2.76	6.57	-12.61	2	5	0	67	314.316	2	↓ MOL2 SDF SMILES Flexibase

41546592

Analogs

41546589

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-fluoro-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-fluoro-5-methyl-phenyl…

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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)	2.76	5.13	-11.36	2	5	0	67	314.316	2	↓ MOL2 SDF SMILES Flexibase

41546595

Analogs

41546598
41548177
41548179
40797467
40797469

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Popular Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2-methoxy-5-methyl-pheny…

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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)	2.66	5.86	-14.26	2	6	0	77	326.352	3	↓ MOL2 SDF SMILES Flexibase

41546598

Analogs

41548177
41548179
40797467
40797469
40797472

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2-methoxy-5-methyl-pheny…

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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)	2.66	4.45	-12.88	2	6	0	77	326.352	3	↓ MOL2 SDF SMILES Flexibase

41546636

Analogs

41546639

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Popular Name: (2R)-N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2,4-dimethoxyphenyl)-2-m…

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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)	2.27	3.07	-12.68	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

41546639

Analogs

41546636

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2,4-dimethoxyphenyl)-2-m…

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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)	2.27	4.48	-13.89	2	7	0	86	342.351	4	↓ MOL2 SDF SMILES Flexibase

41546642

Analogs

41546645
36752384

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Popular Name: (2R)-N-(2,5-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(2,5-difluorophenyl)-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)	2.48	4.55	-11.88	2	5	0	67	318.279	2	↓ MOL2 SDF SMILES Flexibase

41546645

Analogs

36752384
41546642

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,5-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(2,5-difluorophenyl)-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)	2.48	5.95	-12.79	2	5	0	67	318.279	2	↓ MOL2 SDF SMILES Flexibase

41546648

Analogs

41546651

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(3,4-difluorophenyl)-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)	2.48	4.49	-16.18	2	5	0	67	318.279	2	↓ MOL2 SDF SMILES Flexibase

41546651

Analogs

37030518
41546648

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Popular Name: (2R)-N-(3,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(3,4-difluorophenyl)-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)	2.48	5.92	-16.08	2	5	0	67	318.279	2	↓ MOL2 SDF SMILES Flexibase

41546663

Analogs

41546666

Draw Identity 99% 90% 80% 70%

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

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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)	2.76	6.51	-16.09	2	5	0	67	314.316	2	↓ MOL2 SDF SMILES Flexibase

41546666

Analogs

41546663

Draw Identity 99% 90% 80% 70%

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

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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)	2.76	5.08	-15.39	2	5	0	67	314.316	2	↓ MOL2 SDF SMILES Flexibase

41546669

Analogs

41546672

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

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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	4.16	-13.53	2	6	0	77	366.295	4	↓ MOL2 SDF SMILES Flexibase

41546672

Analogs

41546669

Draw Identity 99% 90% 80% 70%

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

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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	5.57	-14.44	2	6	0	77	366.295	4	↓ MOL2 SDF SMILES Flexibase

41546681

Analogs

41546684

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Popular Name: (2R)-N-(4-bromo-2-chloro-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-bromo-2-chloro-phenyl)…

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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)	3.64	5.58	-9.07	2	5	0	67	395.64	2	↓ MOL2 SDF SMILES Flexibase

41546684

Analogs

41546681

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-bromo-2-chloro-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-bromo-2-chloro-phenyl)…

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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)	3.64	6.99	-10.06	2	5	0	67	395.64	2	↓ MOL2 SDF SMILES Flexibase

41546687

Analogs

41546690
37029104
37029105

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chloro-2-fluoro-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-(4-chloro-2-fluoro-phenyl…

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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	4.99	-9.32	2	5	0	67	334.734	2	↓ MOL2 SDF SMILES Flexibase

41546690

Analogs

37029104
37029105
41546687

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-(4-chloro-2-fluoro-phenyl…

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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	6.39	-10.25	2	5	0	67	334.734	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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