ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

1784008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-(3-benzoxybenzylidene)-2-(2,5-dichlorophenyl)-2-oxazolin-5-one (4E)-4-(3-benzoxybenzylidene)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.22	12.51	-12.52	0	4	0	52	424.283	5	↓ MOL2 SDF SMILES Flexibase

1784010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-(3-benzoxybenzylidene)-2-(2,5-dichlorophenyl)-2-oxazolin-5-one (4Z)-4-(3-benzoxybenzylidene)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.22	2.23	-9.27	0	4	0	52	424.283	5	↓ MOL2 SDF SMILES Flexibase

1789053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-(3-benzoxybenzylidene)-2-(4-chloro-3-nitro-phenyl)-2-oxazolin-5-one (4E)-4-(3-benzoxybenzylidene)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.51	11.88	-13.12	0	7	0	98	434.835	6	↓ MOL2 SDF SMILES Flexibase

1789055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-(3-benzoxybenzylidene)-2-(4-chloro-3-nitro-phenyl)-2-oxazolin-5-one (4Z)-4-(3-benzoxybenzylidene)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.51	2.39	-14.22	0	7	0	98	434.835	6	↓ MOL2 SDF SMILES Flexibase

2079872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(benzyloxy)benzylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5(4H)-one 4-[3-(benzyloxy)benzylidene]-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.22	1.25	-8.3	0	4	0	52	424.283	5	↓ MOL2 SDF SMILES Flexibase

2079873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-(3-benzoxybenzylidene)-2-(2,4-dichlorophenyl)-2-oxazolin-5-one (4Z)-4-(3-benzoxybenzylidene)-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.22	2.23	-8.5	0	4	0	52	424.283	5	↓ MOL2 SDF SMILES Flexibase

2079883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(benzyloxy)benzylidene]-2-(4-iodophenyl)-1,3-oxazol-5(4H)-one 4-[3-(benzyloxy)benzylidene]-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.02	-0.01	-7.98	0	4	0	52	481.289	5	↓ MOL2 SDF SMILES Flexibase

2081749

Analogs

4471189
4471191
8430367
8456544
34864202

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{4-methoxy-3-[(2-methylbenzyl)oxy]benzylidene}-2-(2-methylphenyl)-1,3-oxazol-5(4H)-one 4-{4-methoxy-3-[(2-methylbenzyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.36	2.7	-13.75	0	5	0	61	413.473	6	↓ MOL2 SDF SMILES Flexibase

2082158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-4-{4-methoxy-3-[(2-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-fluorophenyl)-4-{4-methoxy-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.07	2.49	-15.35	0	5	0	61	417.436	6	↓ MOL2 SDF SMILES Flexibase

2082166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenyl)-4-{4-methoxy-3-[(2-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(3-bromophenyl)-4-{4-methoxy-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.74	0.76	-13.1	0	5	0	61	478.342	6	↓ MOL2 SDF SMILES Flexibase

2082213

Analogs

4851711
6090058

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{4-methoxy-3-[(2-methylbenzyl)oxy]benzylidene}-2-(3-methylphenyl)-1,3-oxazol-5(4H)-one 4-{4-methoxy-3-[(2-methylbenzyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.38	1.84	-12.18	0	5	0	61	413.473	6	↓ MOL2 SDF SMILES Flexibase

2082338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{4-methoxy-3-[(2-methylbenzyl)oxy]benzylidene}-2-phenyl-1,3-oxazol-5(4H)-one 4-{4-methoxy-3-[(2-methylbenzyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	1.52	-13.81	0	5	0	61	399.446	6	↓ MOL2 SDF SMILES Flexibase

2082339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-4-[4-methoxy-3-(2-methylbenzyl)oxy-benzylidene]-2-phenyl-2-oxazolin-5-one (4Z)-4-[4-methoxy-3-(2-methylben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	2.74	-12.12	0	5	0	61	399.446	6	↓ MOL2 SDF SMILES Flexibase

2083884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-4,5-difluorophenyl)-4-{3-[(2-fluorobenzyl)oxy]-4-methoxybenzylidene}-1,3-oxazol-5(4H)-one 2-(2-chloro-4,5-difluorophenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.53	5.02	-10.2	0	5	0	61	473.834	6	↓ MOL2 SDF SMILES Flexibase

2083952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3-[(2-fluorobenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-[(2-fluorobenzyl)oxy]benzyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.22	3.62	-8.72	0	4	0	52	391.373	5	↓ MOL2 SDF SMILES Flexibase

2083995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenyl)-4-{3-[(4-fluorobenzyl)oxy]-4-methoxybenzylidene}-1,3-oxazol-5(4H)-one 2-(3-bromophenyl)-4-{3-[(4-fluor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	2.37	-13.02	0	5	0	61	482.305	6	↓ MOL2 SDF SMILES Flexibase

2084015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[3-(2-chlorobenzyl)oxybenzylidene]-2-(2-fluorophenyl)-2-oxazolin-5-one (4E)-4-[3-(2-chlorobenzyl)oxyben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.69	11.76	-13.46	0	4	0	52	407.828	5	↓ MOL2 SDF SMILES Flexibase

2084016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3-[(2-chlorobenzyl)oxy]benzylidene}-2-(2-fluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-[(2-chlorobenzyl)oxy]benzyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.69	2.87	-10.44	0	4	0	52	407.828	5	↓ MOL2 SDF SMILES Flexibase

2084081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4Z)-2-(2-chloro-4,5-difluoro-phenyl)-4-[3-(3-fluorobenzyl)oxybenzylidene]-2-oxazolin-5-one (4Z)-2-(2-chloro-4,5-difluoro-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.94	13	-9.5	0	4	0	52	443.808	5	↓ MOL2 SDF SMILES Flexibase

2084086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dichlorophenyl)-4-{3-[(2-fluorobenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2,5-dichlorophenyl)-4-{3-[(2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.34	3.08	-9.19	0	4	0	52	442.273	5	↓ MOL2 SDF SMILES Flexibase

2084112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3-[(4-bromobenzyl)oxy]benzylidene}-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-[(4-bromobenzyl)oxy]benzyli…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.61	3.09	-8.67	0	4	0	52	504.714	5	↓ MOL2 SDF SMILES Flexibase

2084236

Analogs

6600616
8989965
8990015

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(4-chloro-3-nitro-phenyl)-4-[4-methoxy-3-(3-methylbenzyl)oxy-benzylidene]-2-oxazolin-5-one (4E)-2-(4-chloro-3-nitro-phenyl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.54	12.46	-16.2	0	8	0	107	478.888	7	↓ MOL2 SDF SMILES Flexibase

2084254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-(2-chlorophenyl)-4-[3-(4-methylbenzyl)oxybenzylidene]-2-oxazolin-5-one (4E)-2-(2-chlorophenyl)-4-[3-(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.02	12.68	-13.67	0	4	0	52	403.865	5	↓ MOL2 SDF SMILES Flexibase

2084255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chlorophenyl)-4-{3-[(4-methylbenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2-chlorophenyl)-4-{3-[(4-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.02	2.7	-10.25	0	4	0	52	403.865	5	↓ MOL2 SDF SMILES Flexibase

2084264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{3-[(4-chlorobenzyl)oxy]benzylidene}-2-(2-chloro-4,5-difluorophenyl)-1,3-oxazol-5(4H)-one 4-{3-[(4-chlorobenzyl)oxy]benzyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.48	3.71	-8.63	0	4	0	52	460.263	5	↓ MOL2 SDF SMILES Flexibase

2085467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dichlorophenyl)-4-{3-[(4-fluorobenzyl)oxy]benzylidene}-1,3-oxazol-5(4H)-one 2-(2,5-dichlorophenyl)-4-{3-[(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.39	2.97	-10.04	0	4	0	52	442.273	5	↓ MOL2 SDF SMILES Flexibase

2085618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)-4-{3-[(2-fluorobenzyl)oxy]-4-methoxybenzylidene}-1,3-oxazol-5(4H)-one 2-(4-bromophenyl)-4-{3-[(2-fluor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.48	2.45	-10.49	0	5	0	61	482.305	6	↓ MOL2 SDF SMILES Flexibase

2085803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-4-{3-[(2-fluorobenzyl)oxy]-4-methoxybenzylidene}-1,3-oxazol-5(4H)-one 2-(4-chlorophenyl)-4-{3-[(2-fluo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.35	3.06	-10.52	0	5	0	61	437.854	6	↓ MOL2 SDF SMILES Flexibase

4549523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-(2-fluorophenyl)-oxazol-5-one 4-[[3-[(4-chlorophenyl)methoxy]p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.73	1.65	-11.46	0	4	0	52	407.828	5	↓ MOL2 SDF SMILES Flexibase

4551012

Analogs

20408042

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[3-[(2-chlorophenyl)methoxy]phenyl]methylene]-2-(m-tolyl)oxazol-5-one 4-[[3-[(2-chlorophenyl)methoxy]p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.00	1.09	-11.72	0	4	0	52	403.865	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 229269
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 = 229269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=229269&filter.purchasability=annotated

Embed Link to Results

<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', {
        "ring.id": "229269"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations