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ZINC Item

Suppliers, Protomers, & Similar Substances

12855361

Analogs

25768405

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3,4-difluoro-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	7.31	-16.16	1	3	0	42	280.299	2	↓ MOL2 SDF SMILES Flexibase

54415231

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-nitro-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.22	5.88	-15.95	3	7	0	114	304.331	3	↓ MOL2 SDF SMILES Flexibase

54416557

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-fluoro-4-nitro-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.82	-15.46	1	6	0	88	307.306	3	↓ MOL2 SDF SMILES Flexibase

23040861

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methoxy-4-methyl-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	7.18	-17.68	1	4	0	51	288.372	3	↓ MOL2 SDF SMILES Flexibase

58132607

Analogs

25767972
25768675

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-(dimethylsulfamoyl)-4-methoxy-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	4.92	-26.05	1	7	0	89	381.479	5	↓ MOL2 SDF SMILES Flexibase

62820228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-(isopropylamino)benzamide N-(5,6-dihydro-4H-cyclopenta[d]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)	4.00	7.75	-13.44	2	4	0	54	301.415	4	↓ MOL2 SDF SMILES Flexibase

63006846

Analogs

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Popular Name: 4-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3,5-difluoro-benzamide 4-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.52	5.16	-13.96	3	4	0	68	295.314	2	↓ MOL2 SDF SMILES Flexibase

63006849

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3,5-difluoro-4-(methylamino)benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	5.97	-13.89	2	4	0	54	309.341	3	↓ MOL2 SDF SMILES Flexibase

63007857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3,5-difluoro-4-hydrazino-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	4.98	-14.74	4	5	0	80	310.329	3	↓ MOL2 SDF SMILES Flexibase

63011749

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3,4,5-trifluoro-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	7.27	-13.53	1	3	0	42	298.289	2	↓ MOL2 SDF SMILES Flexibase

49374460

Analogs

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Popular Name: 4-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methoxy-benzamide 4-chloro-N-(5,6-dihydro-4H-cyclo…

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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	8.12	-16.98	1	4	0	51	308.79	3	↓ MOL2 SDF SMILES Flexibase

49540735

Analogs

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Popular Name: 3-amino-4-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3-amino-4-chloro-N-(5,6-dihydro-…

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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	5.55	-14.33	3	4	0	68	293.779	2	↓ MOL2 SDF SMILES Flexibase

49540736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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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)	1.90	4.96	-16	3	4	0	68	259.334	2	↓ MOL2 SDF SMILES Flexibase

49540738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 5-amino-2-chloro-N-(5,6-dihydro-…

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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)	2.53	5.47	-16.84	3	4	0	68	293.779	2	↓ MOL2 SDF SMILES Flexibase

49540739

Analogs

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Popular Name: 4-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 4-amino-N-(5,6-dihydro-4H-cyclop…

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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)	1.93	4.97	-16.55	3	4	0	68	259.334	2	↓ MOL2 SDF SMILES Flexibase

49540740

Analogs

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Popular Name: 2-amino-4-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 2-amino-4-chloro-N-(5,6-dihydro-…

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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	5.82	-12.18	3	4	0	68	293.779	2	↓ MOL2 SDF SMILES Flexibase

49540741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 4-amino-2-chloro-N-(5,6-dihydro-…

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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)	2.53	5.48	-17.61	3	4	0	68	293.779	2	↓ MOL2 SDF SMILES Flexibase

49540742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-benzamide 4-amino-N-(5,6-dihydro-4H-cyclop…

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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	5.74	-16.79	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49540743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 2-amino-5-chloro-N-(5,6-dihydro-…

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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	5.83	-11.47	3	4	0	68	293.779	2	↓ MOL2 SDF SMILES Flexibase

49540744

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-methoxy-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.32	4.39	-16.28	3	5	0	77	289.36	3	↓ MOL2 SDF SMILES Flexibase

49540745

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	5.75	-14.59	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49540748

Analogs

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Popular Name: 2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-benzamide 2-amino-N-(5,6-dihydro-4H-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	6.07	-13.22	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49540749

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-methyl-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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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	5.72	-15.88	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49540750

Analogs

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Popular Name: 2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-6-methyl-benzamide 2-amino-N-(5,6-dihydro-4H-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	5.37	-13.7	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49540751

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-fluoro-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	5.06	-14.8	3	4	0	68	277.324	2	↓ MOL2 SDF SMILES Flexibase

49540754

Analogs

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Popular Name: 5-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-fluoro-benzamide 5-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.02	5.04	-19.73	3	4	0	68	277.324	2	↓ MOL2 SDF SMILES Flexibase

49540761

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-5-fluoro-4-methyl-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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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	5.78	-13.66	3	4	0	68	291.351	2	↓ MOL2 SDF SMILES Flexibase

49540762

Analogs

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Popular Name: 2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-5-fluoro-benzamide 2-amino-N-(5,6-dihydro-4H-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	5.38	-11.83	3	4	0	68	277.324	2	↓ MOL2 SDF SMILES Flexibase

49540768

Analogs

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Popular Name: 2-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-5-methoxy-benzamide 2-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.32	4.6	-12.9	3	5	0	77	289.36	3	↓ MOL2 SDF SMILES Flexibase

49540774

Analogs

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Popular Name: 3-amino-4-bromo-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3-amino-4-bromo-N-(5,6-dihydro-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)	3.07	5.68	-14.2	3	4	0	68	338.23	2	↓ MOL2 SDF SMILES Flexibase

49540775

Analogs

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Popular Name: 5-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methoxy-benzamide 5-amino-N-(5,6-dihydro-4H-cyclop…

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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	5.47	-18.84	3	5	0	77	289.36	3	↓ MOL2 SDF SMILES Flexibase

49540780

Analogs

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Popular Name: 2,4-diamino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 2,4-diamino-N-(5,6-dihydro-4H-cy…

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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)	1.34	3.18	-14.32	5	5	0	94	274.349	2	↓ MOL2 SDF SMILES Flexibase

49540781

Analogs

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Popular Name: 3,5-diamino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3,5-diamino-N-(5,6-dihydro-4H-cy…

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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)	0.93	2.83	-16.22	5	5	0	94	274.349	2	↓ MOL2 SDF SMILES Flexibase

49540782

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3-amino-4,5-dichloro-N-(5,6-dihy…

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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	6.01	-12.5	3	4	0	68	328.224	2	↓ MOL2 SDF SMILES Flexibase

49540783

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-(dimethylamino)benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.36	6.28	-14.62	3	5	0	71	302.403	3	↓ MOL2 SDF SMILES Flexibase

49540784

Analogs

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Popular Name: 5-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-(dimethylamino)benzamide 5-amino-N-(5,6-dihydro-4H-cyclop…

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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	6.58	-14.94	3	5	0	71	302.403	3	↓ MOL2 SDF SMILES Flexibase

49540785

Analogs

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Popular Name: 3-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-ethoxy-benzamide 3-amino-N-(5,6-dihydro-4H-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	5.31	-16.01	3	5	0	77	303.387	4	↓ MOL2 SDF SMILES Flexibase

49540792

Analogs

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Popular Name: 5-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2,4-difluoro-benzamide 5-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.52	5.13	-17.91	3	4	0	68	295.314	2	↓ MOL2 SDF SMILES Flexibase

49540795

Analogs

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Popular Name: 5-amino-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-benzamide 5-amino-N-(5,6-dihydro-4H-cyclop…

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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)	2.30	5.63	-14.53	3	4	0	68	273.361	2	↓ MOL2 SDF SMILES Flexibase

49543596

Analogs

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)benzoic 2-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.38	8.3	-72.48	1	5	-1	82	287.32	3	↓ MOL2 SDF SMILES Flexibase

49545844

Analogs

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Popular Name: 4-(chloromethyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 4-(chloromethyl)-N-(5,6-dihydro-…

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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)	3.43	8.37	-15.99	1	3	0	42	292.791	3	↓ MOL2 SDF SMILES Flexibase

49545846

Analogs

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Popular Name: 3-(chloromethyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3-(chloromethyl)-N-(5,6-dihydro-…

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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)	3.40	8.35	-16.63	1	3	0	42	292.791	3	↓ MOL2 SDF SMILES Flexibase

49546697

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-5-fluoro-2-nitro-benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	8.49	-20.35	1	6	0	88	307.306	3	↓ MOL2 SDF SMILES Flexibase

49547707

Analogs

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Popular Name: 4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 4-(aminomethyl)-N-(5,6-dihydro-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)	2.04	5.12	-62.8	4	4	1	70	274.369	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	4.12	-10.73	3	4	0	71	273.361	2	↓ MOL2 SDF SMILES Flexibase

49547900

Analogs

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Popular Name: 4-carbamothioyl-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 4-carbamothioyl-N-(5,6-dihydro-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)	2.65	6.31	-25.53	3	4	0	68	303.412	3	↓ MOL2 SDF SMILES Flexibase

49547902

Analogs

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Popular Name: 3-carbamothioyl-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 3-carbamothioyl-N-(5,6-dihydro-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)	2.63	6.31	-30.84	3	4	0	68	303.412	3	↓ MOL2 SDF SMILES Flexibase

49548347

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-(methylamino)benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	6.26	-13.64	2	4	0	54	273.361	3	↓ MOL2 SDF SMILES Flexibase

49549207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)benzoic 3-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	7.65	-66.17	1	5	-1	82	287.32	3	↓ MOL2 SDF SMILES Flexibase

49549209

Analogs

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Popular Name: 4-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)benzoic 4-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	7.65	-54.26	1	5	-1	82	287.32	3	↓ MOL2 SDF SMILES Flexibase

49549289

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	5.9	-18.39	2	4	0	62	298.367	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 108130
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 108130 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=108130&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "108130"        

    });
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