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ZINC Item

Suppliers, Protomers, & Similar Substances

35624005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylamino)prop-2-enoic (Z)-3-(5,6,7,8-tetrahydro-4H-cyc…

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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	7	-46.19	0	4	-1	65	237.304	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	7.54	-40.11	2	4	0	66	238.312	3	↓ MOL2 SDF SMILES Flexibase

12401532

Analogs

12401534

Draw Identity 99% 90% 80% 70%

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Popular Name:

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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)	5.82	12.14	-13.66	1	3	0	42	356.535	5	↓ MOL2 SDF SMILES Flexibase

12401534

Analogs

12401532

Draw Identity 99% 90% 80% 70%

Popular Name:

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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)	5.82	12.14	-13.82	1	3	0	42	356.535	5	↓ MOL2 SDF SMILES Flexibase

12402167

Analogs

12402168
31304747
31304750

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Popular Name:

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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	-1.35	-12.56	1	3	0	42	319.257	2	↓ MOL2 SDF SMILES Flexibase

12402168

Analogs

12402167

Draw Identity 99% 90% 80% 70%

Popular Name:

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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	-1.46	-8.81	1	3	0	42	319.257	2	↓ MOL2 SDF SMILES Flexibase

12539550

Analogs

31897311
45868777

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-(4-pyridylmethoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 4-methoxy-3-(4-pyridylmethoxy)-N…

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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)	3.58	9.78	-18.15	1	6	0	73	409.511	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.58	10.06	-43.22	2	6	1	75	410.519	6	↓ MOL2 SDF SMILES Flexibase

12854738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 3-(3-oxopiperazin-1-yl)sulfonyl-…

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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	4.38	-28.32	2	8	0	108	434.543	4	↓ MOL2 SDF SMILES Flexibase

12854995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)triazole-4-carboxamide 1-benzyl-N-(5,6,7,8-tetrahydro-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)	3.38	8.52	-13.68	1	6	0	73	353.451	4	↓ MOL2 SDF SMILES Flexibase

22702187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)propanamide (2R)-2-acetamido-N-(5,6,7,8-tetr…

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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)	1.39	4.51	-15.27	2	5	0	71	281.381	3	↓ MOL2 SDF SMILES Flexibase

22702189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)propanamide (2S)-2-acetamido-N-(5,6,7,8-tetr…

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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)	1.39	4.51	-15.2	2	5	0	71	281.381	3	↓ MOL2 SDF SMILES Flexibase

22702191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylamino)ethyl]propanamide 2,2-dimethyl-N-[2-oxo-2-(5,6,7,8…

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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)	3.42	5.74	-14.27	2	5	0	71	309.435	4	↓ MOL2 SDF SMILES Flexibase

13013089

Analogs

13013090

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(furan-2-carbonyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)piperidine-3-carboxamid (3R)-1-(furan-2-carbonyl)-N-(5,6…

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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	8.31	-15.07	1	6	0	75	373.478	3	↓ MOL2 SDF SMILES Flexibase

13013090

Analogs

13013089

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(furan-2-carbonyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)piperidine-3-carboxamid (3S)-1-(furan-2-carbonyl)-N-(5,6…

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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	8.06	-12.19	1	6	0	75	373.478	3	↓ MOL2 SDF SMILES Flexibase

22992194

Analogs

12519829

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)BLAHcarboxamide methyl-N-(5,6,7,8-tetrahydro-4H-…

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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)	3.85	10.73	-23.52	1	6	0	73	395.532	2	↓ MOL2 SDF SMILES Flexibase

22992197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylsulfonylamino)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 3-(ethylsulfonylamino)-N-(5,6,7,…

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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)	3.21	6.01	-20.68	2	6	0	88	379.507	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	6.09	-51.82	1	6	-1	90	378.499	5	↓ MOL2 SDF SMILES Flexibase

24986212

Analogs

25406428
25406431
25406434
25406437

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)-3-[[(2S)-tetrahydrofuran-2-yl]methylsulfamoyl]be N-(5,6,7,8-tetrahydro-4H-cyclohe…

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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	5.34	-18.08	2	7	0	97	435.571	6	↓ MOL2 SDF SMILES Flexibase

24986216

Analogs

25406428
25406431
25406434
25406437

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)-3-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]be N-(5,6,7,8-tetrahydro-4H-cyclohe…

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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	5.37	-20.98	2	7	0	97	435.571	6	↓ MOL2 SDF SMILES Flexibase

24987468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)pyridine-3-carboxamide 6-pyrazol-1-yl-N-(5,6,7,8-tetrah…

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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)	2.88	8.72	-15.75	1	6	0	73	339.424	3	↓ MOL2 SDF SMILES Flexibase

14554135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)pyridine-2-carboxamide N-(5,6,7,8-tetrahydro-4H-cyclohe…

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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)	2.46	6.52	-13.33	1	4	0	55	273.361	2	↓ MOL2 SDF SMILES Flexibase

14554137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 4-bromo-N-(5,6,7,8-tetrahydro-4H…

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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)	4.44	8.97	-12.12	1	3	0	42	351.269	2	↓ MOL2 SDF SMILES Flexibase

14554139

Analogs

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Popular Name: 2-(2-nitrophenoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(2-nitrophenoxy)-N-(5,6,7,8-te…

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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	10.02	-29.69	1	7	0	97	347.396	5	↓ MOL2 SDF SMILES Flexibase

14554141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)quinoline-2-carboxamide N-(5,6,7,8-tetrahydro-4H-cyclohe…

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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)	3.70	8.68	-13.17	1	4	0	55	323.421	2	↓ MOL2 SDF SMILES Flexibase

14554142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-furyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)prop-2-enamide (E)-3-(2-furyl)-N-(5,6,7,8-tetra…

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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)	3.34	7.75	-13.06	1	4	0	55	288.372	3	↓ MOL2 SDF SMILES Flexibase

14554145

Analogs

6457586

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-methoxyphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)prop-2-enamide (E)-3-(4-methoxyphenyl)-N-(5,6,7…

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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)	4.32	8.53	-10.62	1	4	0	51	328.437	4	↓ MOL2 SDF SMILES Flexibase

14554166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(2-chloro-6-fluoro-phenyl)-N-(…

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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)	4.46	9.46	-13.45	1	3	0	42	338.835	3	↓ MOL2 SDF SMILES Flexibase

14554175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(3,4-dimethoxyphenyl)-N-(5,6,7…

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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)	3.37	8.21	-18.73	1	5	0	60	346.452	5	↓ MOL2 SDF SMILES Flexibase

14554178

Analogs

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Popular Name: 2-methoxy-4-methylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 2-methoxy-4-methylsulfanyl-N-(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)	4.59	9.89	-16.73	1	4	0	51	348.493	4	↓ MOL2 SDF SMILES Flexibase

14554184

Analogs

6251610

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (E)-N-(5,6,7,8-tetrahydro-4H-cyc…

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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)	3.90	8.7	-17.78	1	6	0	70	388.489	6	↓ MOL2 SDF SMILES Flexibase

14554188

Analogs

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Popular Name: (E)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)-3-(2-thienyl)prop-2-enamide (E)-N-(5,6,7,8-tetrahydro-4H-cyc…

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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)	3.99	8.67	-12.19	1	3	0	42	304.44	3	↓ MOL2 SDF SMILES Flexibase

14554190

Analogs

14554193
14554194

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)be 3-[(2R,6R)-2,6-dimethylmorpholin…

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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	7.08	-15.8	1	7	0	89	449.598	4	↓ MOL2 SDF SMILES Flexibase

14554193

Analogs

14554194
14554190

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)be 3-[(2S,6R)-2,6-dimethylmorpholin…

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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	7.28	-21.64	1	7	0	89	449.598	4	↓ MOL2 SDF SMILES Flexibase

14554194

Analogs

14554190
14554193

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)be 3-[(2S,6S)-2,6-dimethylmorpholin…

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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	7.07	-15.88	1	7	0	89	449.598	4	↓ MOL2 SDF SMILES Flexibase

14554202

Analogs

6995090

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Popular Name: (E)-3-(3-nitrophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)prop-2-enamide (E)-3-(3-nitrophenyl)-N-(5,6,7,8…

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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)	4.20	10.21	-20.28	1	6	0	88	343.408	4	↓ MOL2 SDF SMILES Flexibase

14554212

Analogs

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Popular Name: 2-(4-bromophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(4-bromophenyl)-N-(5,6,7,8-tet…

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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)	4.53	9.52	-14.93	1	3	0	42	365.296	3	↓ MOL2 SDF SMILES Flexibase

14554217

Analogs

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Popular Name: 2-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetamide 2-(3-methoxyphenyl)-N-(5,6,7,8-t…

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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	8.2	-16.55	1	4	0	51	316.426	4	↓ MOL2 SDF SMILES Flexibase

14554228

Analogs

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Popular Name: 4-[(2-methoxyphenyl)-methyl-sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 4-[(2-methoxyphenyl)-methyl-sulf…

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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	9.18	-20.67	1	7	0	89	471.604	6	↓ MOL2 SDF SMILES Flexibase

14554241

Analogs

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Popular Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl 4-[(4-methyl-1,2,4-triazol-3-yl)…

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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	11.88	-29.3	1	9	0	119	430.515	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.56	11	-57.2	0	9	-1	125	429.507	5	↓ MOL2 SDF SMILES Flexibase

14554248

Analogs

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Popular Name: 5-indolin-1-ylsulfonyl-2-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 5-indolin-1-ylsulfonyl-2-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)	5.16	10.79	-20.21	1	7	0	89	483.615	5	↓ MOL2 SDF SMILES Flexibase

14554250

Analogs

21798355
21798359

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Popular Name: 3,4,5,6-tetrachloro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)pyridine-2-carboxamide 3,4,5,6-tetrachloro-N-(5,6,7,8-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)	5.70	8.45	-6.71	1	4	0	55	411.141	2	↓ MOL2 SDF SMILES Flexibase

14554252

Analogs

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Popular Name: 4-[2-[(4-fluorophenyl)amino]-2-oxo-ethoxy]-3-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2 4-[2-[(4-fluorophenyl)amino]-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)	4.24	10.66	-28.54	2	7	0	90	469.538	7	↓ MOL2 SDF SMILES Flexibase

14554265

Analogs

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Popular Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)benzamide 3-(azepan-1-ylsulfonyl)-4-methox…

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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)	4.34	9.04	-24.39	1	7	0	89	463.625	5	↓ MOL2 SDF SMILES Flexibase

14554267

Analogs

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Popular Name: 3-(1H-indol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)propanamide 3-(1H-indol-3-yl)-N-(5,6,7,8-tet…

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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)	4.39	9.76	-15.39	2	4	0	58	339.464	4	↓ MOL2 SDF SMILES Flexibase

14554269

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)acetami 2-[(4-chlorophenyl)sulfonyl-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)	3.90	7.27	-15.7	1	6	0	79	413.952	5	↓ MOL2 SDF SMILES Flexibase

14554278

Analogs

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Popular Name: 4-oxo-3-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)phthalazine-1-carboxamide 4-oxo-3-phenyl-N-(5,6,7,8-tetrah…

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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)	4.45	11.1	-13.62	1	6	0	77	416.506	3	↓ MOL2 SDF SMILES Flexibase

14554281

Analogs

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Popular Name: 3-benzyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)phthalazine-1-carboxamide 3-benzyl-4-oxo-N-(5,6,7,8-tetrah…

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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)	4.77	11.58	-13.12	1	6	0	77	430.533	4	↓ MOL2 SDF SMILES Flexibase

14554286

Analogs

14554288

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Popular Name: 3-methyl-N-[(1R)-2-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylcarbamoyl)propyl]benzami 3-methyl-N-[(1R)-2-methyl-1-(5,6…

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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)	4.27	9.76	-12.1	2	5	0	71	385.533	5	↓ MOL2 SDF SMILES Flexibase

14554288

Analogs

14554286

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Popular Name: 3-methyl-N-[(1S)-2-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylcarbamoyl)propyl]benzami 3-methyl-N-[(1S)-2-methyl-1-(5,6…

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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)	4.27	9.65	-12.05	2	5	0	71	385.533	5	↓ MOL2 SDF SMILES Flexibase

14554290

Analogs

14554292

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(1R)-2-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylcarbamoyl)propyl]benzamid 2-bromo-N-[(1R)-2-methyl-1-(5,6,…

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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)	4.60	9.84	-12.66	2	5	0	71	450.402	5	↓ MOL2 SDF SMILES Flexibase

14554292

Analogs

14554290

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(1S)-2-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylcarbamoyl)propyl]benzamid 2-bromo-N-[(1S)-2-methyl-1-(5,6,…

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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)	4.60	9.6	-12.49	2	5	0	71	450.402	5	↓ MOL2 SDF SMILES Flexibase

14554298

Analogs

21902041
30771524

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Popular Name: 4-(4-methoxyphenoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)butanamide 4-(4-methoxyphenoxy)-N-(5,6,7,8-…

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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	8.68	-18.22	1	5	0	60	360.479	7	↓ MOL2 SDF SMILES Flexibase

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