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

20005045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-4-methoxy-benzami 3-bromo-N-[2-[(5Z)-5-[(2-fluorop…

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)	3.28	7.68	-14.48	1	6	0	77	479.327	6	↓ MOL2 SDF SMILES Flexibase

36333384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-2-fluoro-benzamide 5-bromo-N-[2-[(5Z)-2,4-dioxo-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)	3.72	8.98	-14.74	1	5	0	68	463.328	5	↓ MOL2 SDF SMILES Flexibase

36333689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-2,6-difluoro-benzamide N-[2-[(5Z)-2,4-dioxo-5-(p-tolylm…

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)	3.05	8.24	-16.78	1	5	0	68	402.422	5	↓ MOL2 SDF SMILES Flexibase

23030100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-methoxy-benzam 5-chloro-N-[2-[(5Z)-5-[(4-fluoro…

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)	3.74	8.76	-17.62	1	6	0	77	434.876	6	↓ MOL2 SDF SMILES Flexibase

23030103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3,5-dimethoxy-4-methyl-be N-[2-[(5Z)-5-[(4-fluorophenyl)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)	2.95	7.12	-17.47	1	7	0	87	444.484	7	↓ MOL2 SDF SMILES Flexibase

23030116

Analogs

30768763
30768950

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dimethylsulfamoyl)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]benz 3-(dimethylsulfamoyl)-N-[2-[(5Z)…

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)	1.82	5.73	-24.43	1	8	0	106	477.539	7	↓ MOL2 SDF SMILES Flexibase

23030126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-4-methyl-benzami 3-fluoro-N-[2-[(5Z)-5-[(4-fluoro…

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)	3.07	8.37	-14.9	1	5	0	68	402.422	5	↓ MOL2 SDF SMILES Flexibase

23030712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-ethylsulfany N-[2-[(5Z)-5-[[4-(difluoromethox…

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)	3.74	9.06	-21.23	1	6	0	77	478.542	9	↓ MOL2 SDF SMILES Flexibase

23038538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3,5-dimethoxy-benzamide N-[2-[(5Z)-5-[(4-fluorophenyl)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)	2.57	6.3	-17.93	1	7	0	87	430.457	7	↓ MOL2 SDF SMILES Flexibase

23038712

Analogs

16596529

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]benzamide 4-chloro-N-[2-[(5Z)-2,4-dioxo-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)	2.68	7.4	-19.33	1	8	0	96	476.938	8	↓ MOL2 SDF SMILES Flexibase

23038714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]benzam 4-tert-butyl-N-[2-[(5Z)-2,4-diox…

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)	3.71	9.21	-19.52	1	8	0	96	498.601	9	↓ MOL2 SDF SMILES Flexibase

23038715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]benzamide 3-chloro-N-[2-[(5Z)-2,4-dioxo-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)	2.65	7.39	-21.41	1	8	0	96	476.938	8	↓ MOL2 SDF SMILES Flexibase

23038717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-4-isopropyl-benzam N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	3.51	8.82	-19.65	1	8	0	96	484.574	9	↓ MOL2 SDF SMILES Flexibase

23038720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-2-ethoxy-benzamide N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.93	8.37	-23.45	1	9	0	105	486.546	10	↓ MOL2 SDF SMILES Flexibase

23038721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-2,4-difluoro-benza N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.26	7.02	-23.24	1	8	0	96	478.473	8	↓ MOL2 SDF SMILES Flexibase

23038722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-4-ethyl-benzamide N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.92	8.31	-19.91	1	8	0	96	470.547	9	↓ MOL2 SDF SMILES Flexibase

23038723

Analogs

15994977

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-3,4-dimethyl-benza N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.83	8.22	-20.47	1	8	0	96	470.547	8	↓ MOL2 SDF SMILES Flexibase

23038724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-4-fluoro- 2-chloro-N-[2-[(5Z)-2,4-dioxo-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)	2.77	7.45	-20.85	1	8	0	96	494.928	8	↓ MOL2 SDF SMILES Flexibase

23038768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-4-(methoxymethyl)b N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	1.95	6.6	-21.03	1	9	0	105	486.546	10	↓ MOL2 SDF SMILES Flexibase

23038770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-4-methylsulfanyl-b N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.43	7.91	-20.86	1	8	0	96	488.587	9	↓ MOL2 SDF SMILES Flexibase

23038795

Analogs

16596551
16596559
15994980

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-3-fluoro-4-methyl- N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.54	7.59	-18.26	1	8	0	96	474.51	8	↓ MOL2 SDF SMILES Flexibase

23038796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-2-fluoro- 5-chloro-N-[2-[(5Z)-2,4-dioxo-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)	2.77	7.48	-20.91	1	8	0	96	494.928	8	↓ MOL2 SDF SMILES Flexibase

14013656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]benzamide 4-tert-butyl-N-[2-[(5Z)-5-[(2-fl…

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)	4.19	10	-13.16	1	5	0	68	426.513	6	↓ MOL2 SDF SMILES Flexibase

14229241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-2-hydroxy-benzamid N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-t…

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)	2.49	5.39	-20.22	2	9	0	116	458.492	8	↓ MOL2 SDF SMILES Flexibase

14241864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-4-flu 2-chloro-N-[2-[(5Z)-5-[[4-(diflu…

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)	3.75	7.76	-17.98	1	6	0	77	470.856	7	↓ MOL2 SDF SMILES Flexibase

14248189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[2-[(5Z)-5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]benzam 2-ethoxy-N-[2-[(5Z)-5-[(4-ethoxy…

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)	3.32	9.32	-21.12	1	8	0	96	470.547	10	↓ MOL2 SDF SMILES Flexibase

14250894

Analogs

17061112

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-benzylidene-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-chloro-4-ethoxy-5-methoxy-benzamide N-[2-[(5Z)-5-benzylidene-2,4-dio…

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)	3.20	8.4	-13.63	1	7	0	87	460.939	8	↓ MOL2 SDF SMILES Flexibase

14251216

Analogs

39198909

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-met 4-(difluoromethoxy)-N-[2-[(5Z)-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)	2.74	7.15	-17.26	1	7	0	87	466.437	8	↓ MOL2 SDF SMILES Flexibase

14255299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(methoxymethyl)-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]benzami 4-(methoxymethyl)-N-[2-[(5Z)-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)	2.38	6.65	-16.03	1	7	0	87	426.494	8	↓ MOL2 SDF SMILES Flexibase

69693569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5E)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-(methanesulfonamido)ben N-[2-[(5E)-5-[(4-chlorophenyl)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)	2.25	5.26	-52.52	1	8	-1	116	478.959	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.25	5.19	-20.16	2	8	0	114	479.967	7	↓ MOL2 SDF SMILES Flexibase

69919525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5E)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-methoxy-4-methyl-benzam N-[2-[(5E)-5-[(4-chlorophenyl)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)	3.48	8.52	-15.3	1	6	0	77	430.913	6	↓ MOL2 SDF SMILES Flexibase

49313039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5E)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-nitro-benzamide N-[2-[(5E)-5-[(4-chlorophenyl)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)	2.96	9.87	-22.9	1	8	0	114	431.857	6	↓ MOL2 SDF SMILES Flexibase

49313048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5E)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2,4-difluoro-benzamide N-[2-[(5E)-5-[(4-chlorophenyl)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)	3.30	8.63	-16.83	1	5	0	68	422.84	5	↓ MOL2 SDF SMILES Flexibase

49313051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5E)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3,4-dimethoxy-benzamide N-[2-[(5E)-5-[(4-chlorophenyl)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)	2.69	7.71	-17.38	1	7	0	87	446.912	7	↓ MOL2 SDF SMILES Flexibase

49313058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[(5E)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-4-fluoro-benzami 2-chloro-N-[2-[(5E)-5-[(4-chloro…

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)	3.82	9.05	-14.65	1	5	0	68	439.295	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 61600
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = axeso
iocnl3 = legacy
iosrct = affiliate
iid = 191540506

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 = 61600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=61600&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": "61600"        

    });
</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