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ZINC Item

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37274878

Analogs

35794234

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(3,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3,5-dimethylphenoxy)ace…

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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)	3.02	11.39	-63.75	0	7	-1	96	396.419	8	↓ MOL2 SDF SMILES Flexibase

37274880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-isopropylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-isopropylphenoxy)acet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	11.99	-63.31	0	7	-1	96	410.446	9	↓ MOL2 SDF SMILES Flexibase

37274883

Analogs

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Popular Name: 4-[6-[2-(2-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-chlorophenoxy)acetyl]…

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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)	2.83	10.6	-66.48	0	7	-1	96	402.81	8	↓ MOL2 SDF SMILES Flexibase

37274886

Analogs

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Popular Name: 4-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-chlorophenoxy)acetyl]…

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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)	2.88	10.58	-63.03	0	7	-1	96	402.81	8	↓ MOL2 SDF SMILES Flexibase

37274889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(3-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3-methoxyphenoxy)acetyl…

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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)	2.23	9.36	-66.89	0	8	-1	105	398.391	9	↓ MOL2 SDF SMILES Flexibase

37274893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2-methoxy-4-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-methoxy-4-methyl-phen…

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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)	2.24	10.48	-67.68	0	8	-1	105	412.418	9	↓ MOL2 SDF SMILES Flexibase

37274896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-methoxyphenoxy)acetyl…

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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)	1.81	9.81	-67.79	0	8	-1	105	398.391	9	↓ MOL2 SDF SMILES Flexibase

37274899

Analogs

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Popular Name: 4-[3-oxo-6-[2-(2,3,5-trimethylphenoxy)acetyl]-1,4-benzoxazin-4-yl]butanoic 4-[3-oxo-6-[2-(2,3,5-trimethylph…

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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)	3.40	11.97	-63.34	0	7	-1	96	410.446	8	↓ MOL2 SDF SMILES Flexibase

37274903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-methoxyphenoxy)acetyl…

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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)	2.26	9.34	-64.25	0	8	-1	105	398.391	9	↓ MOL2 SDF SMILES Flexibase

37274906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(3-isopropylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3-isopropylphenoxy)acet…

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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	11.97	-63.84	0	7	-1	96	410.446	9	↓ MOL2 SDF SMILES Flexibase

37274911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2,4-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2,4-dimethylphenoxy)ace…

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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)	3.02	11.44	-63.29	0	7	-1	96	396.419	8	↓ MOL2 SDF SMILES Flexibase

37274914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-chloro-3-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-chloro-3-methyl-pheno…

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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	11.16	-63.12	0	7	-1	96	416.837	8	↓ MOL2 SDF SMILES Flexibase

37274917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(3-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3-chlorophenoxy)acetyl]…

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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)	2.85	10.58	-61.53	0	7	-1	96	402.81	8	↓ MOL2 SDF SMILES Flexibase

37274920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(3,4-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3,4-dimethylphenoxy)ace…

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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)	3.02	11.29	-63.9	0	7	-1	96	396.419	8	↓ MOL2 SDF SMILES Flexibase

37274924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2,3-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2,3-dimethylphenoxy)ace…

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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	11.33	-63.49	0	7	-1	96	396.419	8	↓ MOL2 SDF SMILES Flexibase

37274928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]butanoic 4-[3-oxo-6-(2-phenoxyacetyl)-1,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	10.06	-63.65	0	7	-1	96	368.365	8	↓ MOL2 SDF SMILES Flexibase

37274932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-methylphenoxy)acetyl]…

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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	10.73	-63.67	0	7	-1	96	382.392	8	↓ MOL2 SDF SMILES Flexibase

37274935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-fluorophenoxy)acetyl]…

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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)	2.36	10.13	-63.55	0	7	-1	96	386.355	8	↓ MOL2 SDF SMILES Flexibase

37274938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-methylphenoxy)acetyl]…

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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)	2.60	10.77	-63.35	0	7	-1	96	382.392	8	↓ MOL2 SDF SMILES Flexibase

37274941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2-chloro-4-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-chloro-4-methyl-pheno…

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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	11.26	-66.34	0	7	-1	96	416.837	8	↓ MOL2 SDF SMILES Flexibase

37274944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-chloro-2-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-chloro-2-methyl-pheno…

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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	11.28	-62.81	0	7	-1	96	416.837	8	↓ MOL2 SDF SMILES Flexibase

37274947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-chloro-2-fluoro-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-chloro-2-fluoro-pheno…

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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	10.64	-67.47	0	7	-1	96	420.8	8	↓ MOL2 SDF SMILES Flexibase

37274950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(3-chloro-4-fluoro-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3-chloro-4-fluoro-pheno…

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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	10.63	-65.61	0	7	-1	96	420.8	8	↓ MOL2 SDF SMILES Flexibase

37274953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-tert-butylphenoxy)ace…

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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)	3.91	12.38	-63.21	0	7	-1	96	424.473	9	↓ MOL2 SDF SMILES Flexibase

37274956

Analogs

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Popular Name: 4-[6-[2-(3-isopropyl-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3-isopropyl-5-methyl-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)	4.09	12.63	-63.56	0	7	-1	96	424.473	9	↓ MOL2 SDF SMILES Flexibase

37274959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-isopropyl-3-methyl-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)	3.61	12.51	-63.43	0	7	-1	96	424.473	9	↓ MOL2 SDF SMILES Flexibase

37274963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2,5-dimethylphenoxy)ace…

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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)	3.02	11.44	-63.22	0	7	-1	96	396.419	8	↓ MOL2 SDF SMILES Flexibase

37274967

Analogs

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Popular Name: 4-[6-[2-(4-ethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-ethylphenoxy)acetyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	11.5	-63.43	0	7	-1	96	396.419	9	↓ MOL2 SDF SMILES Flexibase

37274970

Analogs

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Popular Name: 4-[6-[2-(3,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(3,4-difluorophenoxy)ace…

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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)	2.45	10.18	-66.74	0	7	-1	96	404.345	8	↓ MOL2 SDF SMILES Flexibase

37274973

Analogs

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Popular Name: 4-[6-[2-(2-fluoro-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-fluoro-5-methyl-pheno…

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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	10.79	-67.97	0	7	-1	96	400.382	8	↓ MOL2 SDF SMILES Flexibase

37274976

Analogs

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Popular Name: 4-[6-[2-(4-fluoro-2-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(4-fluoro-2-methyl-pheno…

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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	10.84	-63.27	0	7	-1	96	400.382	8	↓ MOL2 SDF SMILES Flexibase

37274979

Analogs

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Popular Name: 4-[6-[2-(2-chloro-4-fluoro-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-chloro-4-fluoro-pheno…

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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	10.66	-66.3	0	7	-1	96	420.8	8	↓ MOL2 SDF SMILES Flexibase

37274982

Analogs

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Popular Name: 4-[6-[2-(2-chloro-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2-chloro-5-methyl-pheno…

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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	11.26	-66	0	7	-1	96	416.837	8	↓ MOL2 SDF SMILES Flexibase

37274985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[6-[2-(2,6-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanoic 4-[6-[2-(2,6-dimethylphenoxy)ace…

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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	11.43	-61.43	0	7	-1	96	396.419	8	↓ MOL2 SDF SMILES Flexibase

37274988

Analogs

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Popular Name: 4-[3-oxo-6-[2-(2,3,6-trimethylphenoxy)acetyl]-1,4-benzoxazin-4-yl]butanoic 4-[3-oxo-6-[2-(2,3,6-trimethylph…

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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)	3.40	12.08	-61.63	0	7	-1	96	410.446	8	↓ MOL2 SDF SMILES Flexibase

37275021

Analogs

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Popular Name: (2R)-2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-isobutyl-propanamide (2R)-2-[6-[2-(4-chlorophenoxy)ac…

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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)	3.65	10.8	-21.55	1	7	0	85	444.915	8	↓ MOL2 SDF SMILES Flexibase

37275023

Analogs

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Popular Name: (2S)-2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-isobutyl-propanamide (2S)-2-[6-[2-(4-chlorophenoxy)ac…

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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)	3.65	10.74	-21.05	1	7	0	85	444.915	8	↓ MOL2 SDF SMILES Flexibase

37275026

Analogs

35794956
35794961

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Popular Name: (2R)-N-butyl-2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide (2R)-N-butyl-2-[6-[2-(4-chloroph…

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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)	3.96	10.84	-21.76	1	7	0	85	444.915	9	↓ MOL2 SDF SMILES Flexibase

37275029

Analogs

35794956
35794961

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Popular Name: (2S)-N-butyl-2-[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide (2S)-N-butyl-2-[6-[2-(4-chloroph…

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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)	3.96	10.78	-21.21	1	7	0	85	444.915	9	↓ MOL2 SDF SMILES Flexibase

37275069

Analogs

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Popular Name: (2R)-N-(2-diethylaminoethyl)-2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanam (2R)-N-(2-diethylaminoethyl)-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)	2.89	11.54	-54.39	2	8	1	89	490.527	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.07	9.49	-54.3	1	8	0	96	489.519	11	↓ MOL2 SDF SMILES Flexibase

37275072

Analogs

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Popular Name: (2S)-N-(2-diethylaminoethyl)-2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanam (2S)-N-(2-diethylaminoethyl)-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)	2.89	11.5	-53.51	2	8	1	89	490.527	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.07	9.45	-53.65	1	8	0	96	489.519	11	↓ MOL2 SDF SMILES Flexibase

37275076

Analogs

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Popular Name: (2R)-2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-isopentyl-propanamide (2R)-2-[6-[2-(2,4-difluorophenox…

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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)	3.76	10.96	-25.69	1	7	0	85	460.477	9	↓ MOL2 SDF SMILES Flexibase

37275079

Analogs

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Popular Name: (2S)-2-[6-[2-(2,4-difluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-isopentyl-propanamide (2S)-2-[6-[2-(2,4-difluorophenox…

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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)	3.76	10.9	-25.32	1	7	0	85	460.477	9	↓ MOL2 SDF SMILES Flexibase

37275110

Analogs

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Popular Name: (2R)-N-(2-diethylaminoethyl)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide (2R)-N-(2-diethylaminoethyl)-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)	2.79	11.47	-51.63	2	8	1	89	472.537	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.98	9.41	-50.79	1	8	0	96	471.529	11	↓ MOL2 SDF SMILES Flexibase

37275113

Analogs

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Popular Name: (2S)-N-(2-diethylaminoethyl)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide (2S)-N-(2-diethylaminoethyl)-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)	2.79	11.42	-50.91	2	8	1	89	472.537	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.98	9.37	-50.35	1	8	0	96	471.529	11	↓ MOL2 SDF SMILES Flexibase

37275134

Analogs

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Popular Name: (2R)-N-ethyl-2-[6-[2-(2-fluoro-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide (2R)-N-ethyl-2-[6-[2-(2-fluoro-5…

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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	9.51	-25.42	1	7	0	85	414.433	7	↓ MOL2 SDF SMILES Flexibase

37275137

Analogs

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Popular Name: (2S)-N-ethyl-2-[6-[2-(2-fluoro-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanamide (2S)-N-ethyl-2-[6-[2-(2-fluoro-5…

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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	9.45	-25.05	1	7	0	85	414.433	7	↓ MOL2 SDF SMILES Flexibase

37275140

Analogs

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Popular Name: (2R)-N-(2-diethylaminoethyl)-2-[6-[2-(2-fluoro-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]pr (2R)-N-(2-diethylaminoethyl)-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)	3.17	12.14	-53.31	2	8	1	89	486.564	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	10.09	-53.94	1	8	0	96	485.556	11	↓ MOL2 SDF SMILES Flexibase

37275144

Analogs

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Popular Name: (2S)-N-(2-diethylaminoethyl)-2-[6-[2-(2-fluoro-5-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]pr (2S)-N-(2-diethylaminoethyl)-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)	3.17	12.09	-52.45	2	8	1	89	486.564	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	10.05	-53.23	1	8	0	96	485.556	11	↓ MOL2 SDF SMILES Flexibase

37275148

Analogs

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Popular Name: (2R)-2-[6-[2-(4-fluoro-2-methyl-phenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-propyl-propanamide (2R)-2-[6-[2-(4-fluoro-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)	3.27	10.33	-22.35	1	7	0	85	428.46	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 174995
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 174995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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