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

36639908

Analogs

8039724

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(phenoxymethyl)-N-[5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]furan-2-carboxamide 5-(phenoxymethyl)-N-[5-[(4-sulfa…

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)	3.92	6.09	-21.69	3	8	0	125	469.544	8	↓ MOL2 SDF SMILES Flexibase

36639909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[4-methyl-5-[(4-sulfamoylpheny…

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)	4.15	6.6	-21.96	3	8	0	125	483.571	8	↓ MOL2 SDF SMILES Flexibase

36639910

Analogs

28226225
8039724

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzyl-4-methyl-thiazol-2-yl)-5-(phenoxymethyl)furan-2-carboxamide N-(5-benzyl-4-methyl-thiazol-2-y…

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)	5.45	11.64	-14.42	1	5	0	64	404.491	7	↓ MOL2 SDF SMILES Flexibase

36639911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[4-methyl-5-[[3-(trifluorometh…

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)	6.32	12.66	-15.66	1	5	0	64	472.488	8	↓ MOL2 SDF SMILES Flexibase

36639912

Analogs

48366842
28226225
8039724
180390

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[4-methyl-5-[(3-nitrophenyl)me…

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)	5.39	12.35	-19.69	1	8	0	110	449.488	8	↓ MOL2 SDF SMILES Flexibase

36639913

Analogs

48366842
28226225
8039724
998295

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[4-methyl-5-[(4-nitrophenyl)me…

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)	5.41	12.35	-20.04	1	8	0	110	449.488	8	↓ MOL2 SDF SMILES Flexibase

36639914

Analogs

7982885

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-fluorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(4-fluorophenyl)methyl]-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)	5.62	11.7	-15.8	1	5	0	64	422.481	7	↓ MOL2 SDF SMILES Flexibase

36639915

Analogs

28226225
8039724

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(4-methoxyphenyl)methyl]-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)	5.51	10.93	-16.23	1	6	0	74	434.517	8	↓ MOL2 SDF SMILES Flexibase

36639916

Analogs

39851101
39851102
39851108

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(4-chlorophenyl)methyl]-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)	6.13	12.16	-15.1	1	5	0	64	438.936	7	↓ MOL2 SDF SMILES Flexibase

36639917

Analogs

39851097
39851098
39851100
39851108
39851109

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(3-chlorophenyl)methyl]-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)	6.11	12.15	-14.73	1	5	0	64	438.936	7	↓ MOL2 SDF SMILES Flexibase

36639918

Analogs

39851093
39851094
39851096
48366842
2836861

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(2-chlorophenyl)methyl]-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)	6.08	12.01	-14.47	1	5	0	64	438.936	7	↓ MOL2 SDF SMILES Flexibase

36639919

Analogs

39851097
39851098
39851108
39851109
39851111

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(3,4-dichlorophenyl)methyl…

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)	6.74	12.61	-15.85	1	5	0	64	473.381	7	↓ MOL2 SDF SMILES Flexibase

36639920

Analogs

48366842
2836861

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(2,5-dichlorophenyl)methyl…

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)	6.74	12.52	-13.97	1	5	0	64	473.381	7	↓ MOL2 SDF SMILES Flexibase

36639921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(3-bromophenyl)methyl]-4-m…

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)	6.24	12.25	-14.75	1	5	0	64	483.387	7	↓ MOL2 SDF SMILES Flexibase

36639922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(4-bromophenyl)methyl]-4-m…

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)	6.26	12.26	-15.04	1	5	0	64	483.387	7	↓ MOL2 SDF SMILES Flexibase

36639923

Analogs

12794991
11689870
2836861

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-ca N-[5-[[2-chloro-5-(trifluorometh…

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)	6.95	12.95	-14.61	1	5	0	64	506.933	8	↓ MOL2 SDF SMILES Flexibase

36639924

Analogs

39851093
39851094
39851097
39851098
39851099

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)m…

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)	6.65	12.2	-15.31	1	5	0	64	503.805	7	↓ MOL2 SDF SMILES Flexibase

36639925

Analogs

48366842
2836861

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]-4-methyl-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)m…

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)	6.87	12.71	-15.82	1	5	0	64	517.832	7	↓ MOL2 SDF SMILES Flexibase

36639926

Analogs

8039724

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-methylphenoxy)methyl]-N-[5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]furan-2-carboxamide 5-[(4-methylphenoxy)methyl]-N-[5…

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)	4.37	6.78	-21.79	3	8	0	125	483.571	8	↓ MOL2 SDF SMILES Flexibase

36639927

Analogs

48366842
28226225
8039724

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-methylphenoxy)methyl]-N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]thiazol-2-yl]furan-2-carboxamid 5-[(4-methylphenoxy)methyl]-N-[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)	4.59	7.28	-22	3	8	0	125	497.598	8	↓ MOL2 SDF SMILES Flexibase

36639928

Analogs

28226225
8039724

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzyl-4-methyl-thiazol-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-(5-benzyl-4-methyl-thiazol-2-y…

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)	5.90	12.31	-14.29	1	5	0	64	418.518	7	↓ MOL2 SDF SMILES Flexibase

36639929

Analogs

48366842
28226225
8039724
7982885
4510738

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-methylphenoxy)methyl]-N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]furan-2-ca 5-[(4-methylphenoxy)methyl]-N-[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)	6.77	13.33	-15.62	1	5	0	64	486.515	8	↓ MOL2 SDF SMILES Flexibase

36639930

Analogs

48366842
28226225
8039724
655245

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[4-methyl-5-[(3-nitrophenyl)me…

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)	5.84	13.03	-19.52	1	8	0	110	463.515	8	↓ MOL2 SDF SMILES Flexibase

36639931

Analogs

48366842
28226225
8039724
998295

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-methyl-5-[(4-nitrophenyl)methyl]thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[4-methyl-5-[(4-nitrophenyl)me…

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)	5.86	13.03	-19.97	1	8	0	110	463.515	8	↓ MOL2 SDF SMILES Flexibase

36639932

Analogs

7982885

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-fluorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(4-fluorophenyl)methyl]-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)	6.06	12.37	-15.71	1	5	0	64	436.508	7	↓ MOL2 SDF SMILES Flexibase

36639933

Analogs

28226225
8039724

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-methoxyphenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(4-methoxyphenyl)methyl]-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)	5.96	11.6	-16.23	1	6	0	74	448.544	8	↓ MOL2 SDF SMILES Flexibase

36639934

Analogs

39851101
39851102
39851109

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(4-chlorophenyl)methyl]-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)	6.58	12.83	-15	1	5	0	64	452.963	7	↓ MOL2 SDF SMILES Flexibase

36639935

Analogs

39851097
39851098
39851108
39851109
48366842

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(3-chlorophenyl)methyl]-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)	6.55	12.82	-14.74	1	5	0	64	452.963	7	↓ MOL2 SDF SMILES Flexibase

36639936

Analogs

39851093
39851094
48366842
2836861

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2-chlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(2-chlorophenyl)methyl]-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)	6.53	12.69	-14.43	1	5	0	64	452.963	7	↓ MOL2 SDF SMILES Flexibase

36639937

Analogs

39851097
39851098
39851108
39851109
48366842

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3,4-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxam N-[5-[(3,4-dichlorophenyl)methyl…

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)	7.18	13.27	-15.82	1	5	0	64	487.408	7	↓ MOL2 SDF SMILES Flexibase

36639938

Analogs

39851094
48366842
2836861

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxam N-[5-[(2,5-dichlorophenyl)methyl…

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)	7.18	13.2	-13.93	1	5	0	64	487.408	7	↓ MOL2 SDF SMILES Flexibase

36639939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(3-bromophenyl)methyl]-4-m…

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)	6.69	12.93	-14.7	1	5	0	64	497.414	7	↓ MOL2 SDF SMILES Flexibase

36639940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromophenyl)methyl]-4-methyl-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(4-bromophenyl)methyl]-4-m…

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)	6.71	12.94	-14.93	1	5	0	64	497.414	7	↓ MOL2 SDF SMILES Flexibase

36639941

Analogs

39851093
39851094
39851097
39851098
39851099

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide N-[5-[(4-bromo-3-chloro-phenyl)m…

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)	7.09	12.88	-15.25	1	5	0	64	517.832	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 105340
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 = 105340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=105340&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": "105340"        

    });
</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