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ZINC Item

Suppliers, Protomers, & Similar Substances

6878574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-chloro-3-methyl-benzothiazol-2-ylidene)-2-(1,3-dimethyl-5-oxo-pyrazol-4-ylidene)-3-ethyl-thiazo 5-(5-chloro-3-methyl-benzothiazo…

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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)	3.92	-0.84	-12.86	0	6	0	61	420.947	1	↓ MOL2 SDF SMILES Flexibase

6878575

Analogs

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Popular Name: 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one 2-[1-(4-chlorophenyl)-3-methyl-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)	5.25	-0.22	-13.77	0	7	0	71	513.044	3	↓ MOL2 SDF SMILES Flexibase

6878579

Analogs

4109322

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Popular Name: 3-ethyl-5-(5-methoxy-3-methyl-benzothiazol-2-ylidene)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)- 3-ethyl-5-(5-methoxy-3-methyl-be…

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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)	4.58	10.76	-17.08	0	7	0	71	478.599	3	↓ MOL2 SDF SMILES Flexibase

6878582

Analogs

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Popular Name: 2-(1,3-dimethyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)-3-ethyl-5-(5-methoxy-3-methyl-benzothiazol-2- 2-(1,3-dimethyl-5-oxo-2-thioxo-i…

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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)	2.94	-1.75	-12.84	0	7	0	63	448.595	2	↓ MOL2 SDF SMILES Flexibase

6878584

Analogs

33908602
4255377

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-thiazolidin-4-one 2-[1-(4-chlorophenyl)-3-methyl-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)	5.22	-0.23	-13.13	0	6	0	61	483.018	2	↓ MOL2 SDF SMILES Flexibase

6878588

Analogs

33907824
33907828

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Popular Name: 3-ethyl-5-(3-methylbenzothiazol-2-ylidene)-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-pyrazol-4-ylidene]-th 3-ethyl-5-(3-methylbenzothiazol-…

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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)	4.69	12.33	-16.14	0	9	0	108	493.57	3	↓ MOL2 SDF SMILES Flexibase

6878589

Analogs

13136320
33907826
4109324

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Popular Name: 3-ethyl-5-(3-methylbenzothiazol-2-ylidene)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-thiazolidin 3-ethyl-5-(3-methylbenzothiazol-…

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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)	4.54	-0.08	-15.36	0	6	0	61	448.573	2	↓ MOL2 SDF SMILES Flexibase

6878590

Analogs

33907825

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Popular Name: ethyl {4-[3-ethyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate ethyl {4-[3-ethyl-5-(3-methyl-1,…

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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)	4.98	13.5	-19.07	0	8	0	88	520.636	6	↓ MOL2 SDF SMILES Flexibase

9909734

Analogs

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Popular Name: N-(4-methoxyphenyl)-3-nitrido-2-[4-oxo-3-phenyl-5-(p-tolylmethylene)thiazolidin-2-ylidene]-propanami N-(4-methoxyphenyl)-3-nitrido-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)	4.70	1.98	-11.38	1	6	0	84	467.55	5	↓ MOL2 SDF SMILES Flexibase

9909746

Analogs

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Popular Name: N-benzyl-2-[5-[(4-methoxyphenyl)methylene]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-3-nitrido-propanami N-benzyl-2-[5-[(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)	3.95	0.89	-11.28	1	6	0	84	467.55	6	↓ MOL2 SDF SMILES Flexibase

32071058

Analogs

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Popular Name: (2Z,5Z)-5-[[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]methylene]-2-[2-(2-furyl)-2-oxo-ethylidene]thiaz (2Z,5Z)-5-[[3,5-dimethyl-4-(2-py…

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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)	3.83	9.98	-13.78	1	6	0	85	432.501	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.29	8.9	-47.61	0	6	-1	88	431.493	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.29	9.39	-52.08	0	6	-1	88	431.493	6	↓ MOL2 SDF SMILES Flexibase

18947808

Analogs

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Popular Name: 2-[[(2Z,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(4-fluorophenyl)methylene]-4-oxo-thiazolidin-3-yl]m 2-[[(2Z,5Z)-2-(3,3-dimethyl-2-ox…

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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)	4.59	14.06	-11.84	0	4	0	63	420.509	5	↓ MOL2 SDF SMILES Flexibase

18947826

Analogs

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Popular Name: 2-[[(2Z,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(2-fluorophenyl)methylene]-4-oxo-thiazolidin-3-yl]m 2-[[(2Z,5Z)-2-(3,3-dimethyl-2-ox…

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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)	4.55	14.2	-11.28	0	4	0	63	420.509	5	↓ MOL2 SDF SMILES Flexibase

18950716

Analogs

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Popular Name: N-tert-butyl-2-[(2Z,5Z)-2-[2-(o-tolyl)-2-oxo-ethylidene]-4-oxo-5-(2-pyridylmethylene)thiazolidin-3-y N-tert-butyl-2-[(2Z,5Z)-2-[2-(o-…

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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	11.12	-19.63	1	6	0	81	435.549	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	11	-39.67	2	6	1	82	436.557	6	↓ MOL2 SDF SMILES Flexibase

36125712

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)	0.91	8.36	-12.02	2	8	0	124	417.45	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	8.82	-40.29	3	8	1	125	418.458	4	↓ MOL2 SDF SMILES Flexibase

36125714

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)	0.91	8.37	-12.05	2	8	0	124	417.45	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.91	8.83	-40.19	3	8	1	125	418.458	4	↓ MOL2 SDF SMILES Flexibase

12041982

Analogs

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Popular Name: (2E)-2-[(5E)-5-[(4-chlorophenyl)methylene]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-2-cyano-acetamide (2E)-2-[(5E)-5-[(4-chlorophenyl)…

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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)	2.80	-0.21	-13.28	2	5	0	89	381.844	3	↓ MOL2 SDF SMILES Flexibase

12041984

Analogs

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Popular Name: (2E)-2-[(5E)-5-[(2-chlorophenyl)methylene]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-2-cyano-acetamide (2E)-2-[(5E)-5-[(2-chlorophenyl)…

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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)	2.75	-0.21	-10.99	2	5	0	89	381.844	3	↓ MOL2 SDF SMILES Flexibase

12041988

Analogs

2221864

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Popular Name: (2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-[(5E)-4-oxo-3-phenyl-5-(p-tolylmethylene)thiazolidin-2-ylidene (2Z)-2-cyano-N-(3,4-dichlorophen…

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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)	5.92	1.69	-10.82	1	5	0	75	506.414	4	↓ MOL2 SDF SMILES Flexibase

12041992

Analogs

34953335
34953338

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylene]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-2-cyano-N-(4-methox (2Z)-2-[(5E)-5-[(4-chlorophenyl)…

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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)	4.93	1.51	-11.51	1	6	0	84	487.968	5	↓ MOL2 SDF SMILES Flexibase

12041996

Analogs

34805417

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(5E)-5-[[5-(3-chlorophenyl)-2-furyl]methylene]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-2-cyano (2E)-2-[(5E)-5-[[5-(3-chlorophen…

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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)	3.95	11.36	-18.81	2	6	0	102	447.903	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.26	9.95	-55.04	1	6	-1	106	446.895	4	↓ MOL2 SDF SMILES Flexibase

21540923

Analogs

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Popular Name: (2Z)-2-[(5Z)-3-(4-fluorophenyl)-5-[(5-methyl-2-thienyl)methylene]-4-oxo-thiazolidin-2-ylidene]-3-mor (2Z)-2-[(5Z)-3-(4-fluorophenyl)-…

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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)	2.87	9.9	-11.64	0	6	0	75	455.536	3	↓ MOL2 SDF SMILES Flexibase

21548590

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)	3.18	10.9	-18.11	0	8	0	87	472.563	12	↓ MOL2 SDF SMILES Flexibase

21548717

Analogs

25398234

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(5E)-5-[(3-chlorophenyl)methylene]-3-(2,4-dimethylphenyl)-4-oxo-thiazolidin-2-ylidene]-3-oxo (2E)-2-[(5E)-5-[(3-chlorophenyl)…

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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)	4.83	14.57	-11.83	0	5	0	66	463.99	3	↓ MOL2 SDF SMILES Flexibase

12401485

Analogs

8780944

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Popular Name: (2Z,7S)-5-amino-7-(3-isobutoxyphenyl)-2-[(3-isobutoxyphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyrid (2Z,7S)-5-amino-7-(3-isobutoxyph…

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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)	5.72	3.98	-12.12	2	7	0	114	526.662	8	↓ MOL2 SDF SMILES Flexibase

12401640

Analogs

12401641

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Popular Name: (2Z,7R)-5-amino-7-(4-isopropoxyphenyl)-2-[(4-isopropoxyphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyr (2Z,7R)-5-amino-7-(4-isopropoxyp…

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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)	5.00	3.72	-11.48	2	7	0	114	498.608	6	↓ MOL2 SDF SMILES Flexibase

12401641

Analogs

12401640

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Popular Name: (2Z,7S)-5-amino-7-(4-isopropoxyphenyl)-2-[(4-isopropoxyphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyr (2Z,7S)-5-amino-7-(4-isopropoxyp…

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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)	5.00	3.7	-11.58	2	7	0	114	498.608	6	↓ MOL2 SDF SMILES Flexibase

12401720

Analogs

13739454
13739455
16323078
16323080
32107550

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Popular Name: (2Z,7R)-5-amino-7-(4-isopropylphenyl)-2-[(4-isopropylphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyrid (2Z,7R)-5-amino-7-(4-isopropylph…

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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)	6.44	4.65	-8.16	2	5	0	96	466.61	4	↓ MOL2 SDF SMILES Flexibase

12401721

Analogs

13739454
13739455
16323078
16323080
32107550

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,7S)-5-amino-7-(4-isopropylphenyl)-2-[(4-isopropylphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyrid (2Z,7S)-5-amino-7-(4-isopropylph…

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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)	6.44	4.66	-8.21	2	5	0	96	466.61	4	↓ MOL2 SDF SMILES Flexibase

22685057

Analogs

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Popular Name: 2-[(5E)-5-[(3-chlorophenyl)methylene]-3-(3-methylsulfanylpropyl)-4-oxo-thiazolidin-2-ylidene]propane 2-[(5E)-5-[(3-chlorophenyl)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)	3.35	11.07	-8.38	0	4	0	70	375.906	5	↓ MOL2 SDF SMILES Flexibase

12538876

Analogs

13777477
33765476

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Popular Name: (2E)-3-morpholino-3-oxo-2-[(5Z)-4-oxo-3-phenyl-5-(2-thienylmethylene)thiazolidin-2-ylidene]propaneni (2E)-3-morpholino-3-oxo-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)	2.48	9.6	-12.62	0	6	0	75	423.519	3	↓ MOL2 SDF SMILES Flexibase

13008011

Analogs

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Popular Name: (2Z,5E)-2-[2-(2-furyl)-2-oxo-ethylidene]-3-methyl-5-[[4-(trifluoromethoxy)phenyl]methylene]thiazolid (2Z,5E)-2-[2-(2-furyl)-2-oxo-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)	3.63	8.86	-10.06	0	5	0	61	395.358	5	↓ MOL2 SDF SMILES Flexibase

13008126

Analogs

40058061

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Popular Name: (2Z,5E)-5-[(3-fluorophenyl)methylene]-2-[2-(2-furyl)-2-oxo-ethylidene]-3-methyl-thiazolidin-4-one (2Z,5E)-5-[(3-fluorophenyl)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)	2.80	9.11	-9.89	0	4	0	52	329.352	3	↓ MOL2 SDF SMILES Flexibase

13009389

Analogs

13009391

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Popular Name: 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxo-butylidene)-5-(1-naphthylmethylene)-4-oxo-thiazolidin-3-yl]-N-[(1R) 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxo…

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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	11.55	-16	1	6	0	77	466.603	8	↓ MOL2 SDF SMILES Flexibase

13009391

Analogs

13009389

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Popular Name: 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxo-butylidene)-5-(1-naphthylmethylene)-4-oxo-thiazolidin-3-yl]-N-[(1S) 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxo…

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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	11.55	-16.95	1	6	0	77	466.603	8	↓ MOL2 SDF SMILES Flexibase

13009398

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)	4.89	13.35	-13.28	0	6	0	75	457.935	8	↓ MOL2 SDF SMILES Flexibase

13009431

Analogs

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Popular Name: (2Z,5Z)-5-[[5-(2-fluorophenyl)-2-thienyl]methylene]-2-[2-oxo-2-(4-pyridyl)ethylidene]thiazolidin-4-o (2Z,5Z)-5-[[5-(2-fluorophenyl)-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)	5.05	8.74	-56.08	0	4	-1	66	407.471	4	↓ MOL2 SDF SMILES Flexibase

13009513

Analogs

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Popular Name: (2Z,5E)-5-[(5-bromo-2-thienyl)methylene]-2-[2-(2-furyl)-2-oxo-ethylidene]-3-methyl-thiazolidin-4-one (2Z,5E)-5-[(5-bromo-2-thienyl)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)	3.49	8.88	-10.17	0	4	0	52	396.287	3	↓ MOL2 SDF SMILES Flexibase

22704736

Analogs

17093190
17100543

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Popular Name: 2-[(5Z)-3-allyl-5-[(4-methylsulfanylphenyl)methylene]-4-oxo-thiazolidin-2-ylidene]-2-(p-tolylsulfony 2-[(5Z)-3-allyl-5-[(4-methylsulf…

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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)	4.12	10.96	-14	0	5	0	80	468.625	6	↓ MOL2 SDF SMILES Flexibase

13010172

Analogs

12794365

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Popular Name: (2Z,5Z)-3-[(5-chlorothiadiazol-4-yl)methyl]-2-(3,3-dimethyl-2-oxo-butylidene)-5-(2-naphthylmethylene (2Z,5Z)-3-[(5-chlorothiadiazol-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)	5.54	12.52	-10.34	0	5	0	65	470.019	5	↓ MOL2 SDF SMILES Flexibase

13012120

Analogs

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Popular Name: (2Z,5E)-5-[(5-chloro-2-hydroxy-phenyl)methylene]-2-[2-(2-furyl)-2-oxo-ethylidene]-3-methyl-thiazolid (2Z,5E)-5-[(5-chloro-2-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)	3.26	6.74	-10.97	1	5	0	72	361.806	3	↓ MOL2 SDF SMILES Flexibase

13013275

Analogs

25472806

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Popular Name: (2Z,5E)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[[5-(2-fluorophenyl)-2-thienyl]methylene]-3-methyl-thiaz (2Z,5E)-2-(3,3-dimethyl-2-oxo-bu…

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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)	5.06	12.82	-13.52	0	3	0	39	401.528	4	↓ MOL2 SDF SMILES Flexibase

13014567

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)	4.14	13.99	-15.88	0	8	0	101	495.553	10	↓ MOL2 SDF SMILES Flexibase

13014763

Analogs

16680393

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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)	4.65	13.37	-13.62	0	8	0	93	515.971	8	↓ MOL2 SDF SMILES Flexibase

22751085

Analogs

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Popular Name: 2-[(5Z)-3-(4-ethylphenyl)-4-oxo-5-(2-thienylmethylene)thiazolidin-2-ylidene]-2-(p-tolylsulfonyl)acet 2-[(5Z)-3-(4-ethylphenyl)-4-oxo-…

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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)	5.13	13.03	-15.3	0	5	0	80	492.647	5	↓ MOL2 SDF SMILES Flexibase

23043304

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)	2.31	8.33	-19.04	0	8	0	87	468.478	8	↓ MOL2 SDF SMILES Flexibase

62575499

Analogs

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Popular Name: 2-[(5E)-5-[(3-cyanophenyl)methylene]-2-[2-(o-tolyl)-2-oxo-ethylidene]-4-oxo-thiazolidin-3-yl]-N-[[(2 2-[(5E)-5-[(3-cyanophenyl)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)	3.02	11.8	-14.7	1	7	0	101	487.581	7	↓ MOL2 SDF SMILES Flexibase

24987126

Analogs

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Popular Name: 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxo-butylidene)-4-oxo-5-[[4-(trifluoromethyl)phenyl]methylene]thiazolid 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxo…

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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)	4.72	13.87	-17.08	0	5	0	59	496.595	8	↓ MOL2 SDF SMILES Flexibase

54802579

Analogs

6337919
21334297

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5E)-5-[(3,5-dichlorophenyl)methylene]-2-[2-(2-furyl)-2-oxo-ethylidene]thiazolidin-4-one (2Z,5E)-5-[(3,5-dichlorophenyl)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)	3.88	8.52	-11.09	1	4	0	63	366.225	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.95	6.8	-48.09	0	4	-1	66	365.217	3	↓ MOL2 SDF SMILES Flexibase

54802580

Analogs

6337919
21334297

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,5Z)-5-[(3,5-dichlorophenyl)methylene]-2-[2-(2-furyl)-2-oxo-ethylidene]thiazolidin-4-one (2Z,5Z)-5-[(3,5-dichlorophenyl)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)	3.88	8.18	-9.8	1	4	0	63	366.225	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.95	6.47	-49.31	0	4	-1	66	365.217	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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