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ZINC Item

Suppliers, Protomers, & Similar Substances

33445985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-methoxy-4-[(E)-[(2Z)-3-(o-tolyl)-2-(o-tolylimino)-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]ac 2-[2-methoxy-4-[(E)-[(2Z)-3-(o-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)	5.89	15.69	-59.56	0	7	-1	93	487.557	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.89	16.02	-68.44	1	7	0	95	488.565	7	↓ MOL2 SDF SMILES Flexibase

19865389

Analogs

13576719
1808911

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5E)-5-benzylidene-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-thiazolidin-4-one (2Z,5E)-5-benzylidene-3-(4-ethox…

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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)	6.85	13.72	-10.31	0	5	0	53	444.556	7	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	6.85	12.44	-9.14	0	5	0	53	444.556	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.85	14.03	-29.86	1	5	1	54	445.564	7	↓ MOL2 SDF SMILES Flexibase

2081228

Analogs

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Popular Name: 5-(2-bromobenzylidene)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-bromobenzylidene)-3-(4-meth…

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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)	7.64	1.37	-10.32	1	0	0	34	463.4	3	↓ MOL2 SDF SMILES Flexibase

2081360

Analogs

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Popular Name: 5-[4-(diethylamino)benzylidene]-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(diethylamino)benzylidene]-…

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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)	8.67	2.91	-10.39	1	0	0	37	483.681	4	↓ MOL2 SDF SMILES Flexibase

2081429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CCOc1cccc(c1O)/C=C/2\C(=O)N(/C(=N\c3ccccc3C)/S2)c4ccccc4C CCOc1cccc(c1O)/C=C/2\C(=O)N(/C(=…

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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)	6.92	13.12	-12.25	1	5	0	64	444.556	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	6.92	11.83	-11.67	1	5	0	64	444.556	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.92	12.76	-50.38	0	5	-1	67	443.548	5	↓ MOL2 SDF SMILES Flexibase

2081586

Analogs

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Popular Name: 5-[4-(dimethylamino)benzylidene]-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(dimethylamino)benzylidene]…

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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)	8.03	2.76	-11.07	1	0	0	37	455.627	4	↓ MOL2 SDF SMILES Flexibase

2081613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(diethylamino)benzylidene]-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(diethylamino)benzylidene]-…

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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)	7.85	3.1	-11.56	1	0	0	37	455.627	4	↓ MOL2 SDF SMILES Flexibase

2081631

Analogs

4470473

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(4-methylbenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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)	8.38	3.05	-10.12	1	0	0	34	426.585	3	↓ MOL2 SDF SMILES Flexibase

2081657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-{3-bromo-2-hydroxy-5-nitrobenzylidene}-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-{3-bromo-2-hydroxy-5-nitrobenz…

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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)	8.22	0.06	-31.93	2	0	-1	103	551.442	7	↓ MOL2 SDF SMILES Flexibase

2081682

Analogs

39864042
39864520

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(2-fluorobenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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)	7.93	3.12	-10.36	1	0	0	34	430.548	3	↓ MOL2 SDF SMILES Flexibase

2081692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,4-dimethoxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2,4-dimethoxybenzylidene)-3-(…

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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)	7.85	2.57	-11.52	1	0	0	52	472.61	5	↓ MOL2 SDF SMILES Flexibase

2081719

Analogs

39862694
39863601
39864042
39864089
39864520

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-chloro-6-fluorobenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-chloro-6-fluorobenzylidene)…

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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)	8.56	2.89	-10.97	1	0	0	34	464.993	3	↓ MOL2 SDF SMILES Flexibase

2081729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(2-fluorobenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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)	8.04	3.45	-10.61	1	0	0	34	430.548	3	↓ MOL2 SDF SMILES Flexibase

2081770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,5-dibromo-2-hydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3,5-dibromo-2-hydroxybenzylid…

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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)	9.18	-0.59	-9.83	2	1	0	54	586.349	4	↓ MOL2 SDF SMILES Flexibase

2081781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-chloro-2-hydroxy-3-methoxyb…

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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)	7.99	0.76	-10.89	1	1	0	63	493.028	5	↓ MOL2 SDF SMILES Flexibase

2081788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-chlorobenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-chlorobenzylidene)-3-(2-eth…

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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)	8.56	2.78	-9.73	1	0	0	34	447.003	3	↓ MOL2 SDF SMILES Flexibase

2081806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,5-dimethylbenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2,5-dimethylbenzylidene)-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)	8.64	3.01	-9.83	1	0	0	34	440.612	3	↓ MOL2 SDF SMILES Flexibase

2081828

Analogs

33696465

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(4-hydroxy-3-methoxybenzyliden…

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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)	6.34	11.91	-12.76	1	5	0	64	430.529	4	↓ MOL2 SDF SMILES Flexibase

2081878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-bromo-5-chloro-2-hydroxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-5-chloro-2-hydroxyben…

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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)	8.94	-0.31	-9.6	2	1	0	54	541.898	4	↓ MOL2 SDF SMILES Flexibase

2081890

Analogs

33721098
39862656
39863563
39865003

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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)	7.64	3.44	-12.35	2	0	0	62	502.636	6	↓ MOL2 SDF SMILES Flexibase

2081917

Analogs

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Popular Name: [4-bromo-2-({3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid [4-bromo-2-({3-(2-methylphenyl)-…

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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)	7.04	1.58	-53.17	2	0	-1	83	536.427	6	↓ MOL2 SDF SMILES Flexibase

2082161

Analogs

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Popular Name: 5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-5-ethoxy-4-hydroxyben…

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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)	8.49	0.13	-11.46	1	5	0	63	551.506	7	↓ MOL2 SDF SMILES Flexibase

2082208

Analogs

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Popular Name: 5-(2,5-dimethoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2,5-dimethoxybenzylidene)-3-(…

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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)	7.04	2.68	-13.41	0	5	0	52	444.556	5	↓ MOL2 SDF SMILES Flexibase

2082257

Analogs

33696465

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dimethoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(3,4-dimethoxybenzylidene)-3-(…

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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)	6.64	2.99	-13.44	0	5	0	52	444.556	5	↓ MOL2 SDF SMILES Flexibase

2082267

Analogs

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Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(2-methoxybenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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)	7.94	3.03	-11.56	0	4	0	43	442.584	6	↓ MOL2 SDF SMILES Flexibase

2082277

Analogs

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Popular Name: methyl 4-({3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)benzoate methyl 4-({3-(2-ethylphenyl)-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)	8.10	3.89	-12.4	0	5	0	60	470.594	7	↓ MOL2 SDF SMILES Flexibase

2082307

Analogs

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Popular Name: 5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-bromo-2-hydroxy-3-methoxybe…

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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)	7.30	0.31	-11.46	1	5	0	63	509.425	4	↓ MOL2 SDF SMILES Flexibase

2082317

Analogs

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Popular Name: 3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-5-(2-propoxybenzylidene)-1,3-thiazolidin-4-one 3-(2-methylphenyl)-2-[(2-methylp…

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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)	7.88	2.79	-11.8	0	4	0	43	442.584	6	↓ MOL2 SDF SMILES Flexibase

2082321

Analogs

39862686
39863593

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(3-methoxybenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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)	7.84	2.42	-11.63	0	4	0	43	442.584	6	↓ MOL2 SDF SMILES Flexibase

2082348

Analogs

4470385

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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)	7.56	3.53	-12.85	0	6	0	62	502.636	8	↓ MOL2 SDF SMILES Flexibase

2082354

Analogs

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Popular Name: 5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-chloro-2-hydroxy-3-methoxyb…

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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)	7.17	0.92	-11.54	1	5	0	63	464.974	4	↓ MOL2 SDF SMILES Flexibase

2082371

Analogs

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Popular Name: 5-[4-(diethylamino)benzylidene]-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(diethylamino)benzylidene]-…

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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)	8.78	3.22	-10.54	0	4	0	37	483.681	8	↓ MOL2 SDF SMILES Flexibase

2082398

Analogs

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Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(4-isopropylbenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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)	9.32	3.2	-9.22	0	3	0	34	454.639	6	↓ MOL2 SDF SMILES Flexibase

2082888

Analogs

39862694
39863601
39864089
39864567

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Popular Name: 5-(2-chloro-6-fluorobenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-chloro-6-fluorobenzylidene)…

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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)	7.74	3.03	-11.69	0	3	0	34	436.939	3	↓ MOL2 SDF SMILES Flexibase

2082942

Analogs

4470324
4470387

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Popular Name: Cc1ccccc1/N=C\2/N(C(=O)/C(=C\c3ccc(cc3)OCC(=O)O)/S2)c4ccccc4C Cc1ccccc1/N=C\2/N(C(=O)/C(=C\c3c…

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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)	6.30	15.59	-51.28	0	6	-1	84	457.531	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.30	15.92	-53.97	1	6	0	85	458.539	6	↓ MOL2 SDF SMILES Flexibase

2082966

Analogs

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Popular Name: 5-(2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-hydroxy-3-methoxybenzyliden…

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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)	6.54	11.96	-13.36	1	5	0	64	430.529	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.54	12.89	-51.17	0	5	-1	67	429.521	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.54	12.26	-26.86	2	5	1	65	431.537	4	↓ MOL2 SDF SMILES Flexibase

2083875

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-5-(2-methoxybenzylidene)-1,3-thiazolidin-4-one 3-(3,4-dimethylphenyl)-2-[(3,4-d…

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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)	7.85	2.77	-12.86	0	4	0	43	442.584	4	↓ MOL2 SDF SMILES Flexibase

2083894

Analogs

6905999

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Popular Name: 5-(3-bromo-4,5-dimethoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one 5-(3-bromo-4,5-dimethoxybenzylid…

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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)	6.56	1.26	-12.28	0	5	0	52	495.398	5	↓ MOL2 SDF SMILES Flexibase

2083901

Analogs

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Popular Name: 2-[(Z)-[(2Z)-3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-keto-thiazolidin-5-ylidene]methyl] 2-[(Z)-[(2Z)-3-(3,4-dimethylphen…

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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)	7.49	1.66	-50.29	0	7	-1	103	472.546	4	↓ MOL2 SDF SMILES Flexibase

2083929

Analogs

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Popular Name: 5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-bromo-2-hydroxy-3-methoxybe…

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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)	8.23	0.45	-10.98	1	5	0	63	537.479	6	↓ MOL2 SDF SMILES Flexibase

2083955

Analogs

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Popular Name: 5-(2-bromo-5-methoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-bromo-5-methoxybenzylidene)…

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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)	8.72	2.22	-10.39	0	4	0	43	521.48	6	↓ MOL2 SDF SMILES Flexibase

2083959

Analogs

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Popular Name: 5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-chloro-2-hydroxy-3-methoxyb…

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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)	7.22	0.41	-11.73	1	5	0	63	464.974	4	↓ MOL2 SDF SMILES Flexibase

2083967

Analogs

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Popular Name: 5-(2-bromo-5-hydroxybenzylidene)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-bromo-5-hydroxybenzylidene)…

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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)	7.30	-0.57	-11.5	1	4	0	54	479.399	3	↓ MOL2 SDF SMILES Flexibase

2084018

Analogs

4470392

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Popular Name: 5-(3,4-dihydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3,4-dihydroxybenzylidene)-3-(…

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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)	6.96	-0.62	-13.99	2	5	0	74	444.556	5	↓ MOL2 SDF SMILES Flexibase

2084060

Analogs

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Popular Name: 5-(3-bromo-5-chloro-2-hydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-5-chloro-2-hydroxyben…

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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)	9.05	0.02	-9.78	1	4	0	54	541.898	5	↓ MOL2 SDF SMILES Flexibase

2084069

Analogs

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Popular Name: 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-chloro-4-hydroxy-5-methoxyb…

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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)	8.10	1.25	-12.14	1	5	0	63	493.028	6	↓ MOL2 SDF SMILES Flexibase

2084088

Analogs

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Popular Name: 5-(5-bromo-2-ethoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-bromo-2-ethoxybenzylidene)-…

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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)	9.10	2.27	-10.55	0	4	0	43	535.507	7	↓ MOL2 SDF SMILES Flexibase

2084096

Analogs

8430411

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Popular Name: 5-(3-bromo-4,5-dimethoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-4,5-dimethoxybenzylid…

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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)	8.51	2.76	-11.83	0	5	0	52	551.506	7	↓ MOL2 SDF SMILES Flexibase

2084171

Analogs

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Popular Name: 5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-chloro-5-ethoxy-4-hydroxybe…

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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)	8.48	1.27	-11.84	1	5	0	63	507.055	7	↓ MOL2 SDF SMILES Flexibase

2084226

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-5-(4-hydroxybenzylidene)-1,3-thiazolidin-4-one 3-(3,4-dimethylphenyl)-2-[(3,4-d…

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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)	7.37	0.78	-13.19	1	4	0	54	428.557	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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