ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35638327

Analogs

34696000
4194379

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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)	1.41	6.88	-10.57	0	5	0	65	277.301	4	↓ MOL2 SDF SMILES Flexibase

52919459

Analogs

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Popular Name: (5Z)-3-(2-aminoethyl)-5-[(4-propoxyphenyl)methylene]thiazolidine-2,4-dione (5Z)-3-(2-aminoethyl)-5-[(4-prop…

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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)	1.29	4.55	-45.72	3	5	1	76	307.395	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	4.16	-7.75	2	5	0	74	306.387	6	↓ MOL2 SDF SMILES Flexibase

52920914

Analogs

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Popular Name: (5Z)-3-(2-aminoethyl)-5-[(3-propoxyphenyl)methylene]thiazolidine-2,4-dione (5Z)-3-(2-aminoethyl)-5-[(3-prop…

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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)	1.27	4.54	-46.15	3	5	1	76	307.395	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.27	4.14	-8.89	2	5	0	74	306.387	6	↓ MOL2 SDF SMILES Flexibase

19990256

Analogs

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Popular Name: (5E)-5-[(3,4-dimethoxyphenyl)methylene]-3-[(dipropylamino)methyl]thiazolidine-2,4-dione (5E)-5-[(3,4-dimethoxyphenyl)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)	2.97	6.92	-9.14	0	6	0	61	378.494	9	↓ MOL2 SDF SMILES Flexibase

36127406

Analogs

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Popular Name: methyl methyl

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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)	1.08	5.67	-14.09	1	9	0	131	338.297	5	↓ MOL2 SDF SMILES Flexibase

36127408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-3-ethyl-thiazolidine-2,4-dione (5E)-5-[(3-ethoxy-4-hydroxy-5-ni…

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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)	1.76	5.96	-15.69	1	8	0	114	338.341	5	↓ MOL2 SDF SMILES Flexibase

36329616

Analogs

12614106

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Popular Name: N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]acet 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)	0.90	4.01	-17.79	1	7	0	87	386.376	7	↓ MOL2 SDF SMILES Flexibase

36329712

Analogs

25402857
25402861

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Popular Name: N-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]propanamide N-[2-[(5Z)-5-[(2-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)	1.65	5.38	-13.21	1	5	0	68	322.361	5	↓ MOL2 SDF SMILES Flexibase

36334962

Analogs

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Popular Name: N-[2-[(5Z)-5-benzylidene-2,4-dioxo-thiazolidin-3-yl]ethyl]prop-2-enamide 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)	1.30	5.02	-13.67	1	5	0	68	302.355	5	↓ MOL2 SDF SMILES Flexibase

12401712

Analogs

4108907

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Popular Name: (5E)-5-[(4-isopropylphenyl)methylene]thiazolidine-2,4-dione (5E)-5-[(4-isopropylphenyl)methy…

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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)	3.00	-0.65	-6.29	1	3	0	50	247.319	2	↓ MOL2 SDF SMILES Flexibase

12403075

Analogs

38267036
1865377

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Popular Name: (5Z)-5-[(2-hydroxyphenyl)methylene]thiazolidine-2,4-dione (5Z)-5-[(2-hydroxyphenyl)methyle…

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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)	1.42	0.25	-7.82	2	4	0	70	221.237	1	↓ MOL2 SDF SMILES Flexibase

12403083

Analogs

1909787

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Popular Name: (5Z)-5-[(4-dimethylaminophenyl)methylene]thiazolidine-2,4-dione (5Z)-5-[(4-dimethylaminophenyl)m…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PIM1-1-E	Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6000	0.43	Binding ≤ 10μM
PIM2-1-E	Serine/threonine-protein Kinase PIM2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.58	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PIM2_HUMAN	Q9P1W9	Serine/threonine-protein Kinase PIM2, Human	100	0.58	Binding ≤ 1μM
PIM1_HUMAN	P11309	Serine/threonine-protein Kinase PIM1, Human	6000	0.43	Binding ≤ 10μM
PIM2_HUMAN	Q9P1W9	Serine/threonine-protein Kinase PIM2, Human	100	0.58	Binding ≤ 10μM

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)	1.59	3.5	-7.38	1	4	0	53	248.307	2	↓ MOL2 SDF SMILES Flexibase

22689580

Analogs

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Popular Name: N-[2-[(5Z)-5-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-4-m 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)	2.78	6.96	-18.96	1	7	0	87	442.484	10	↓ MOL2 SDF SMILES Flexibase

13008341

Analogs

13008343

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Popular Name: (2S)-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-(propanoylamin (2S)-N-[2-[(5Z)-5-[(2,4-dichloro…

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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	5.63	-12.65	2	7	0	97	444.34	7	↓ MOL2 SDF SMILES Flexibase

13008343

Analogs

13008341

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Popular Name: (2R)-N-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-2-(propanoylamin (2R)-N-[2-[(5Z)-5-[(2,4-dichloro…

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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	5.62	-12.6	2	7	0	97	444.34	7	↓ MOL2 SDF SMILES Flexibase

13011632

Analogs

13011633

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Popular Name: 2,2-dimethyl-N-[(1R)-1-methyl-2-[2-[(5Z)-5-[(4-nitrophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]eth 2,2-dimethyl-N-[(1R)-1-methyl-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)	2.08	6.55	-18.66	2	10	0	143	448.501	8	↓ MOL2 SDF SMILES Flexibase

13011633

Analogs

13011632

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Popular Name: 2,2-dimethyl-N-[(1S)-1-methyl-2-[2-[(5Z)-5-[(4-nitrophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]eth 2,2-dimethyl-N-[(1S)-1-methyl-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)	2.08	6.55	-18.36	2	10	0	143	448.501	8	↓ MOL2 SDF SMILES Flexibase

24571522

Analogs

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Popular Name: 2-butylsulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]acetamide 2-butylsulfanyl-N-[2-[(5Z)-5-[(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)	2.74	8.25	-17.04	1	5	0	68	396.509	9	↓ MOL2 SDF SMILES Flexibase

13424456

Analogs

1172756

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Popular Name: (5E)-5-[(2-hydroxy-3-methoxy-phenyl)methylene]-3-methyl-thiazolidine-2,4-dione (5E)-5-[(2-hydroxy-3-methoxy-phe…

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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)	1.09	2.69	-8.75	1	5	0	69	265.29	2	↓ MOL2 SDF SMILES Flexibase

13427331

Analogs

1214183

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Popular Name: (5Z)-5-[(4-methoxy-3-nitro-phenyl)methylene]thiazolidine-2,4-dione (5Z)-5-[(4-methoxy-3-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)	1.43	3.78	-18.27	1	7	0	105	280.261	3	↓ MOL2 SDF SMILES Flexibase

59514427

Analogs

12407059

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Popular Name: (5Z)-5-[(2,4,6-trimethylphenyl)methylene]thiazolidine-2,4-dione (5Z)-5-[(2,4,6-trimethylphenyl)m…

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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	5.03	-5.58	1	3	0	50	247.319	1	↓ MOL2 SDF SMILES Flexibase

1132390

Analogs

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Popular Name: (2S)-2-[(5E)-5-(3-ethoxy-5-iodo-4-methoxy-benzylidene)-2,4-diketo-thiazolidin-3-yl]propionic-acid-me (2S)-2-[(5E)-5-(3-ethoxy-5-iodo-…

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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)	3.01	1.83	-12.83	0	7	0	83	491.303	7	↓ MOL2 SDF SMILES Flexibase

1132394

Analogs

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Popular Name: (2R)-2-[(5E)-5-(3-ethoxy-5-iodo-4-methoxy-benzylidene)-2,4-diketo-thiazolidin-3-yl]propionic-acid-me (2R)-2-[(5E)-5-(3-ethoxy-5-iodo-…

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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)	3.01	1.82	-11.64	0	7	0	83	491.303	7	↓ MOL2 SDF SMILES Flexibase

13684387

Analogs

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Popular Name: 2-[(5E)-5-[(3,4-dimethoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]-N-isopentyl-acetamide 2-[(5E)-5-[(3,4-dimethoxyphenyl)…

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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)	1.96	6.51	-15.39	1	7	0	87	392.477	8	↓ MOL2 SDF SMILES Flexibase

14007602

Analogs

1188468

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Popular Name: 5-[(Z)-(3-bromo-4-methoxyphenyl)methylidene]-1,3-thiazolane-2,4-dione 5-[(Z)-(3-bromo-4-methoxyphenyl)…

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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)	2.28	2.98	-7.92	1	4	0	59	314.16	2	↓ MOL2 SDF SMILES Flexibase

14008641

Analogs

1163268

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Popular Name: ethyl ethyl

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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)	3.18	10.92	-21.91	0	8	0	101	486.34	10	↓ MOL2 SDF SMILES Flexibase

14008644

Analogs

1163268

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Popular Name: ethyl ethyl

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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)	3.18	10.91	-21.6	0	8	0	101	486.34	10	↓ MOL2 SDF SMILES Flexibase

14008657

Analogs

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Popular Name: ethyl ethyl

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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)	4.06	9.97	-11.33	0	6	0	75	507.2	7	↓ MOL2 SDF SMILES Flexibase

14011463

Analogs

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Popular Name: 5-(3-bromo-5-chloro-4-methoxybenzylidene)-3-isopropyl-1,3-thiazolidine-2,4-dione 5-(3-bromo-5-chloro-4-methoxyben…

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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)	3.69	7.69	-7.58	0	4	0	48	390.686	3	↓ MOL2 SDF SMILES Flexibase

14011476

Analogs

1149898

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Popular Name: (5Z)-5-[(2-isopropoxy-3-methoxy-phenyl)methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione (5Z)-5-[(2-isopropoxy-3-methoxy-…

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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)	2.27	7.48	-9.23	0	5	0	58	331.393	5	↓ MOL2 SDF SMILES Flexibase

14011482

Analogs

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Popular Name: 5-(2-bromo-4-ethoxy-5-methoxybenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione 5-(2-bromo-4-ethoxy-5-methoxyben…

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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)	3.55	8.81	-6.67	0	5	0	58	414.321	6	↓ MOL2 SDF SMILES Flexibase

14011485

Analogs

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Popular Name: 5-(2-bromo-4-ethoxy-5-methoxybenzylidene)-3-sec-butyl-1,3-thiazolidine-2,4-dione 5-(2-bromo-4-ethoxy-5-methoxyben…

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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)	3.55	8.81	-6.69	0	5	0	58	414.321	6	↓ MOL2 SDF SMILES Flexibase

14011487

Analogs

4472145

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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	9.72	-14.18	0	7	0	84	393.461	9	↓ MOL2 SDF SMILES Flexibase

14011490

Analogs

4472145

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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	9.72	-14.16	0	7	0	84	393.461	9	↓ MOL2 SDF SMILES Flexibase

2080583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(allyloxy)-3-ethoxy-5-iodobenzylidene]-3-(2-propynyl)-1,3-thiazolidine-2,4-dione 5-[4-(allyloxy)-3-ethoxy-5-iodob…

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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)	3.59	2.02	-9.9	0	5	0	57	469.3	7	↓ MOL2 SDF SMILES Flexibase

2080706

Analogs

4472088
4548204
5869602
9720615

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[3-(ethoxycarbonylmethyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic 2-[4-[[3-(ethoxycarbonylmethyl)-…

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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)	0.68	2.15	-57.24	0	9	-1	123	394.381	9	↓ MOL2 SDF SMILES Flexibase

2089504

Analogs

4472137
4472139

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,5-dichloro-4-prop-2-ynoxy-phenyl)methylene]-3-sec-butyl-thiazolidine-2,4-dione 5-[(3,5-dichloro-4-prop-2-ynoxy-…

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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)	4.22	2.78	-8.83	0	4	0	48	384.284	5	↓ MOL2 SDF SMILES Flexibase

2089506

Analogs

4472137
4472139

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3,5-dichloro-4-prop-2-ynoxy-phenyl)methylene]-3-sec-butyl-thiazolidine-2,4-dione 5-[(3,5-dichloro-4-prop-2-ynoxy-…

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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)	4.22	2.78	-8.84	0	4	0	48	384.284	5	↓ MOL2 SDF SMILES Flexibase

2347713

Analogs

16905384
16905386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-benzylidene-2,4-dioxo-thiazolidin-3-yl)-N-(2-hydroxyethyl)acetamide 2-(5-benzylidene-2,4-dioxo-thiaz…

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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)	0.03	-4.02	-14.87	2	6	0	88	306.343	5	↓ MOL2 SDF SMILES Flexibase

2347714

Analogs

16905384
16905386

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-benzylidene-2,4-dioxo-thiazolidin-3-yl)-N-(2-hydroxyethyl)acetamide 2-(5-benzylidene-2,4-dioxo-thiaz…

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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)	0.03	-3.77	-15.45	2	6	0	88	306.343	5	↓ MOL2 SDF SMILES Flexibase

14232490

Analogs

14625742
27811719
6236873
12849921

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-2-methyl-propanamide 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)	2.23	6.64	-13.07	1	5	0	68	332.425	5	↓ MOL2 SDF SMILES Flexibase

14244262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-[(2-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]pentanamide N-[2-[(5Z)-5-[(2-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)	3.23	7.32	-12.76	1	5	0	68	366.87	7	↓ MOL2 SDF SMILES Flexibase

14244851

Analogs

3555752

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-[(3,4-dichlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]butanamide N-[2-[(5Z)-5-[(3,4-dichloropheny…

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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)	3.38	7.04	-15.41	1	5	0	68	387.288	6	↓ MOL2 SDF SMILES Flexibase

14245570

Analogs

60392438

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5Z)-5-[[4-(difluoromethoxy)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]butanamide 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)	2.71	5.65	-16.72	1	6	0	77	384.404	8	↓ MOL2 SDF SMILES Flexibase

2795127

Analogs

13881000

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-allyl-5-ethoxy-4-hydroxy-phenyl)methylene]-3-methyl-thiazolidine-2,4-dione 5-[(3-allyl-5-ethoxy-4-hydroxy-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)	2.25	-0.11	-8.74	1	5	0	68	319.382	5	↓ MOL2 SDF SMILES Flexibase

14249098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethylamino]-3-oxo-prop N-[3-[2-[(5Z)-2,4-dioxo-5-[(3,4,…

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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)	1.70	4.93	-26.55	2	10	0	125	493.582	11	↓ MOL2 SDF SMILES Flexibase

2799625

Analogs

5879193
12407008
12407013
15800214
15800316

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(E)-(2,4-diketothiazolidin-5-ylidene)methyl]phenoxy]acetic-acid-ethyl-ester 2-[2-[(E)-(2,4-diketothiazolidin…

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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	-0.23	-10.76	1	6	0	85	307.327	6	↓ MOL2 SDF SMILES Flexibase

2799711

Analogs

3029930
6638236
1006168

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5-chloro-2-hydroxy-phenyl)methylene]thiazolidine-2,4-dione 5-[(5-chloro-2-hydroxy-phenyl)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)	2.08	-3.49	-8.67	2	4	0	70	255.682	1	↓ MOL2 SDF SMILES Flexibase

2801001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-allyl-4-[(E)-(2,4-diketothiazolidin-5-ylidene)methyl]-6-methoxy-phenoxy]acetic-acid-methyl-este 2-[2-allyl-4-[(E)-(2,4-diketothi…

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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)	1.94	1.09	-14.3	1	7	0	94	363.391	8	↓ MOL2 SDF SMILES Flexibase

2986547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(E)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]acetate 2-[4-[(E)-(2,4-diketo-3-propargy…

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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)	2.19	1.15	-56.42	0	7	-1	97	486.263	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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