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ZINC Item

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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…

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

36333384

Analogs

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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-(…

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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)	3.72	8.98	-14.74	1	5	0	68	463.328	5	↓ MOL2 SDF SMILES Flexibase

36333689

Analogs

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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…

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

23030100

Analogs

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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…

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

23030103

Analogs

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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…

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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)	2.95	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)…

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

23030126

Analogs

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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…

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

23030712

Analogs

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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…

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

23038538

Analogs

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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…

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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)	2.57	6.3	-17.93	1	7	0	87	430.457	7	↓ MOL2 SDF SMILES Flexibase

23038712

Analogs

16596529

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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-…

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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)	2.68	7.4	-19.33	1	8	0	96	476.938	8	↓ MOL2 SDF SMILES Flexibase

23038714

Analogs

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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…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	9.21	-19.52	1	8	0	96	498.601	9	↓ MOL2 SDF SMILES Flexibase

23038715

Analogs

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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-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	7.39	-21.41	1	8	0	96	476.938	8	↓ MOL2 SDF SMILES Flexibase

23038717

Analogs

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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…

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

23038720

Analogs

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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…

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

23038721

Analogs

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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…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	7.02	-23.24	1	8	0	96	478.473	8	↓ MOL2 SDF SMILES Flexibase

23038722

Analogs

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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…

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

23038723

Analogs

15994977

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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…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.83	8.22	-20.47	1	8	0	96	470.547	8	↓ MOL2 SDF SMILES Flexibase

23038724

Analogs

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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-…

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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)	2.77	7.45	-20.85	1	8	0	96	494.928	8	↓ MOL2 SDF SMILES Flexibase

23038768

Analogs

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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…

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

23038770

Analogs

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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…

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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)	2.43	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…

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

23038796

Analogs

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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-…

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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)	2.77	7.48	-20.91	1	8	0	96	494.928	8	↓ MOL2 SDF SMILES Flexibase

14013656

Analogs

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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…

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

14229241

Analogs

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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…

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

14241864

Analogs

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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…

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

14248189

Analogs

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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…

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

14250894

Analogs

17061112

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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…

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

14251216

Analogs

39198909

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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…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	7.15	-17.26	1	7	0	87	466.437	8	↓ MOL2 SDF SMILES Flexibase

14255299

Analogs

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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-[…

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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)	2.38	6.65	-16.03	1	7	0	87	426.494	8	↓ MOL2 SDF SMILES Flexibase

69693569

Analogs

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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…

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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)	2.25	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

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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…

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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)	3.48	8.52	-15.3	1	6	0	77	430.913	6	↓ MOL2 SDF SMILES Flexibase

49313039

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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…

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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)	2.96	9.87	-22.9	1	8	0	114	431.857	6	↓ MOL2 SDF SMILES Flexibase

49313048

Analogs

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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…

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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)	3.30	8.63	-16.83	1	5	0	68	422.84	5	↓ MOL2 SDF SMILES Flexibase

49313051

Analogs

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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…

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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)	2.69	7.71	-17.38	1	7	0	87	446.912	7	↓ MOL2 SDF SMILES Flexibase

49313058

Analogs

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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…

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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)	3.82	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

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

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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', {
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