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ZINC Item

Suppliers, Protomers, & Similar Substances

36129543

Analogs

36151096

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2-hydroxy-5-nitro-phenyl)methylene]-2-(3-nitrophenyl)oxazol-5-one (4Z)-4-[(2-hydroxy-5-nitro-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)	3.12	7.39	-15.08	1	10	0	155	355.262	4	↓ MOL2 SDF SMILES Flexibase

36151096

Analogs

35026126
35618458

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2-hydroxy-5-nitro-phenyl)methylene]-2-phenyl-oxazol-5-one (4Z)-4-[(2-hydroxy-5-nitro-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)	3.19	6.69	-12.19	1	7	0	109	310.265	3	↓ MOL2 SDF SMILES Flexibase

20615678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(5-bromo-2-fluoro-phenyl)methylene]-2-(2,4-dichlorophenyl)oxazol-5-one (4Z)-4-[(5-bromo-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)	5.50	10.72	-6.34	0	3	0	43	415.045	2	↓ MOL2 SDF SMILES Flexibase

20615683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromophenyl)-4-[[4-(trifluoromethoxy)phenyl]methylene]oxazol-5-one (4Z)-2-(2-bromophenyl)-4-[[4-(tr…

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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)	5.04	9.51	-8.83	0	4	0	52	412.161	4	↓ MOL2 SDF SMILES Flexibase

20615968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(5-bromo-2-methoxy-phenyl)methylene]-2-(2-chloro-4-methoxy-phenyl)oxazol-5-one (4Z)-4-[(5-bromo-2-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)	4.77	8.86	-9.91	0	5	0	62	422.662	4	↓ MOL2 SDF SMILES Flexibase

20615973

Analogs

1516132

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(3,4,5-trimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	3.74	8.18	-12.71	0	7	0	80	448.269	6	↓ MOL2 SDF SMILES Flexibase

20615975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[[2-(trifluoromethyl)phenyl]methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	4.95	10.08	-11.01	0	4	0	52	426.188	4	↓ MOL2 SDF SMILES Flexibase

20615977

Analogs

1516184
4589900

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(3-bromophenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	4.89	9.89	-9.35	0	4	0	52	437.087	3	↓ MOL2 SDF SMILES Flexibase

20615980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(2,4-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	5.39	10.2	-7.87	0	4	0	52	427.081	3	↓ MOL2 SDF SMILES Flexibase

20615981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(2,3-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	5.37	10.16	-9.84	0	4	0	52	427.081	3	↓ MOL2 SDF SMILES Flexibase

20615986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(2,4,5-trimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	3.74	7.62	-12.79	0	7	0	80	448.269	6	↓ MOL2 SDF SMILES Flexibase

20615987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(3,4-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	5.39	10.23	-8.9	0	4	0	52	427.081	3	↓ MOL2 SDF SMILES Flexibase

20615989

Analogs

1516174

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(4-bromophenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	4.92	9.88	-9.26	0	4	0	52	437.087	3	↓ MOL2 SDF SMILES Flexibase

20615993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(3,4-dimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	3.75	8.53	-13.15	0	6	0	71	418.243	5	↓ MOL2 SDF SMILES Flexibase

20615997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(2-chloro-6-fluoro-phenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	4.85	9.57	-10.74	0	4	0	52	410.626	3	↓ MOL2 SDF SMILES Flexibase

20615999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(5-bromo-2-methoxy-phenyl)-4-[(2,3,4-trimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(5-bromo-2-methoxy-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)	3.94	8.6	-12.83	0	7	0	80	448.269	6	↓ MOL2 SDF SMILES Flexibase

20616069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(3,4,5-trimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	3.74	8.04	-11.9	0	7	0	80	448.269	6	↓ MOL2 SDF SMILES Flexibase

20616071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[[2-(trifluoromethyl)phenyl]methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	4.95	9.92	-8.31	0	4	0	52	426.188	4	↓ MOL2 SDF SMILES Flexibase

20616074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(2,3-dimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	3.93	8.47	-9.98	0	6	0	71	418.243	5	↓ MOL2 SDF SMILES Flexibase

20616076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(2,4-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	5.39	10.04	-6.03	0	4	0	52	427.081	3	↓ MOL2 SDF SMILES Flexibase

20616078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(2,3-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	5.37	9.9	-7.12	0	4	0	52	427.081	3	↓ MOL2 SDF SMILES Flexibase

20616082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(5-bromo-2-methoxy-phenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	4.90	8.95	-9.86	0	5	0	62	467.113	4	↓ MOL2 SDF SMILES Flexibase

20616084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(3,4-dichlorophenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	5.39	9.97	-7.85	0	4	0	52	427.081	3	↓ MOL2 SDF SMILES Flexibase

20616086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(4-bromophenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	4.92	9.66	-8.69	0	4	0	52	437.087	3	↓ MOL2 SDF SMILES Flexibase

20616090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-bromo-4-methoxy-phenyl)-4-[(3,4-dimethoxyphenyl)methylene]oxazol-5-one (4Z)-2-(2-bromo-4-methoxy-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)	3.75	8.27	-11.58	0	6	0	71	418.243	5	↓ MOL2 SDF SMILES Flexibase

36638676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(3-chlorophenyl)-4-[(4-methoxy-3-methyl-phenyl)methylene]oxazol-5-one (4Z)-2-(3-chlorophenyl)-4-[(4-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)	4.40	9.38	-9.81	0	4	0	52	327.767	3	↓ MOL2 SDF SMILES Flexibase

22751711

Analogs

7351484

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2,6-dimethoxy-4-[(E)-[2-(4-methoxyphenyl)-5-oxo-oxazol-4-ylidene]methyl]phenoxy]acetamide 2-[2,6-dimethoxy-4-[(E)-[2-(4-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)	1.73	3.84	-23.54	2	9	0	123	412.398	8	↓ MOL2 SDF SMILES Flexibase

13263680

Analogs

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Popular Name: 2-[2-[(Z)-[2-[4-(isopropylsulfamoyl)phenyl]-5-oxo-oxazol-4-ylidene]methyl]phenoxy]acetic 2-[2-[(Z)-[2-[4-(isopropylsulfam…

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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)	2.31	6.4	-57.33	1	9	-1	139	443.457	8	↓ MOL2 SDF SMILES Flexibase

13263681

Analogs

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Popular Name: 2-[2-[(Z)-[2-[4-(tert-butylsulfamoyl)phenyl]-5-oxo-oxazol-4-ylidene]methyl]phenoxy]acetic 2-[2-[(Z)-[2-[4-(tert-butylsulfa…

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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)	2.82	6.72	-56.86	1	9	-1	139	457.484	8	↓ MOL2 SDF SMILES Flexibase

54422714

Analogs

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Popular Name: (4Z)-4-[[3-(2-methoxyethoxy)phenyl]methylene]-2-phenyl-oxazol-5-one (4Z)-4-[[3-(2-methoxyethoxy)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)	3.23	8.29	-10.54	0	5	0	62	323.348	6	↓ MOL2 SDF SMILES Flexibase

54422716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[[3-(2-methoxyethoxy)phenyl]methylene]-2-phenyl-oxazol-5-one (4E)-4-[[3-(2-methoxyethoxy)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)	3.23	7.05	-14.03	0	5	0	62	323.348	6	↓ MOL2 SDF SMILES Flexibase

54422913

Analogs

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Popular Name: (4Z)-4-[(2,5-difluorophenyl)methylene]-2-(3,4-dimethoxyphenyl)oxazol-5-one (4Z)-4-[(2,5-difluorophenyl)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)	3.21	8.1	-9.55	0	5	0	62	345.301	4	↓ MOL2 SDF SMILES Flexibase

54422915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[(2,5-difluorophenyl)methylene]-2-(3,4-dimethoxyphenyl)oxazol-5-one (4E)-4-[(2,5-difluorophenyl)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)	3.21	6.92	-10.12	0	5	0	62	345.301	4	↓ MOL2 SDF SMILES Flexibase

54424719

Analogs

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Popular Name: (4Z)-2-(2,4-difluorophenyl)-4-[[3-(2-methoxyethoxy)phenyl]methylene]oxazol-5-one (4Z)-2-(2,4-difluorophenyl)-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)	3.49	8.61	-10.03	0	5	0	62	359.328	6	↓ MOL2 SDF SMILES Flexibase

54424721

Analogs

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Popular Name: (4E)-2-(2,4-difluorophenyl)-4-[[3-(2-methoxyethoxy)phenyl]methylene]oxazol-5-one (4E)-2-(2,4-difluorophenyl)-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)	3.49	7.47	-13.32	0	5	0	62	359.328	6	↓ MOL2 SDF SMILES Flexibase

13272766

Analogs

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Popular Name: 4-[(Z)-[2-(4-methyl-3-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]benzoic 4-[(Z)-[2-(4-methyl-3-nitro-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)	3.56	9.59	-53.02	0	8	-1	129	351.294	4	↓ MOL2 SDF SMILES Flexibase

13272767

Analogs

8990019

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(Z)-[2-(4-methyl-3-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]phenoxy]acetic 2-[2-[(Z)-[2-(4-methyl-3-nitro-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	9.83	-57.7	0	9	-1	138	381.32	6	↓ MOL2 SDF SMILES Flexibase

60512687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2,3-difluorophenyl)methylene]-2-(4-methoxyphenyl)oxazol-5-one (4Z)-4-[(2,3-difluorophenyl)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)	3.60	8.18	-9.32	0	4	0	52	315.275	3	↓ MOL2 SDF SMILES Flexibase

60512693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2,3-difluorophenyl)methylene]-2-(4-methoxy-3-nitro-phenyl)oxazol-5-one (4Z)-4-[(2,3-difluorophenyl)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)	3.49	9.68	-18	0	7	0	98	360.272	4	↓ MOL2 SDF SMILES Flexibase

60512699

Analogs

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Popular Name: N-[4-[(4Z)-4-[(2,3-difluorophenyl)methylene]-5-oxo-oxazol-2-yl]phenyl]acetamide N-[4-[(4Z)-4-[(2,3-difluoropheny…

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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	7.82	-15.96	1	5	0	72	342.301	3	↓ MOL2 SDF SMILES Flexibase

60512864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[(2,3-difluorophenyl)methylene]-2-(3-methoxyphenyl)oxazol-5-one (4Z)-4-[(2,3-difluorophenyl)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)	3.58	8.17	-11	0	4	0	52	315.275	3	↓ MOL2 SDF SMILES Flexibase

541978

Analogs

541979

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Popular Name: (4E)-2-(4-fluorophenyl)-4-(4-methoxy-3-nitro-benzylidene)-2-oxazolin-5-one (4E)-2-(4-fluorophenyl)-4-(4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	2.4	-19.96	0	7	0	98	342.282	4	↓ MOL2 SDF SMILES Flexibase

541979

Analogs

541978

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Popular Name: (4Z)-2-(4-fluorophenyl)-4-(4-methoxy-3-nitro-benzylidene)-2-oxazolin-5-one (4Z)-2-(4-fluorophenyl)-4-(4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	3.61	-13.45	0	7	0	98	342.282	4	↓ MOL2 SDF SMILES Flexibase

1384562

Analogs

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Popular Name: 4-[(3-chloro-4-methoxyphenyl)methylene]-2-(2-iodophenyl)-1,3-oxazol-5(4H)-one 4-[(3-chloro-4-methoxyphenyl)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)	5.01	0.87	-12.31	0	4	0	52	439.636	3	↓ MOL2 SDF SMILES Flexibase

2080954

Analogs

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Popular Name: 4-[2,4-bis(allyloxy)benzylidene]-2-phenyl-1,3-oxazol-5(4H)-one 4-[2,4-bis(allyloxy)benzylidene]…

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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)	4.64	2.87	-9.58	0	5	0	61	361.397	8	↓ MOL2 SDF SMILES Flexibase

2080958

Analogs

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Popular Name: 2-(3-iodophenyl)-4-(3-methoxy-4-propoxybenzylidene)-1,3-oxazol-5(4H)-one 2-(3-iodophenyl)-4-(3-methoxy-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)	4.90	1.48	-10.87	0	0	0	61	463.271	5	↓ MOL2 SDF SMILES Flexibase

2080960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-ethoxybenzylidene)-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one 4-(2-ethoxybenzylidene)-2-(4-iod…

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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)	4.78	1.09	-7.89	0	0	0	52	419.218	4	↓ MOL2 SDF SMILES Flexibase

2080966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(allyloxy)benzylidene]-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-[2-(allyloxy)benzylidene]-2-(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)	4.83	4.23	-7.76	0	4	0	52	375.758	5	↓ MOL2 SDF SMILES Flexibase

2080968

Analogs

8179278

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-ethoxy-4-propoxybenzylidene)-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one 4-(3-ethoxy-4-propoxybenzylidene…

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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)	4.33	3.21	-11.82	0	5	0	61	369.392	7	↓ MOL2 SDF SMILES Flexibase

2080972

Analogs

1299638
1299639

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3,4-bis(allyloxy)benzylidene]-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-[3,4-bis(allyloxy)benzylidene]…

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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)	5.11	4.95	-9.74	1	0	0	61	431.822	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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