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ZINC Item

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49629271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl [7-(ethoxycarbonylamino)-2-oxo-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)	4.37	11.15	-24.64	1	9	0	112	473.894	8	↓ MOL2 SDF SMILES Flexibase

10498674

Analogs

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Popular Name: 3-(3,7-dimethyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl 3-(3,7-dimethyl-6-thia-1,4-diaza…

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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	-0.26	-15.9	1	6	0	64	377.473	5	↓ MOL2 SDF SMILES Flexibase

10502836

Analogs

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-3-(3,7-dimethyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4,7-trien-2-yl)- N-[2-(5-bromo-2-thienyl)ethyl]-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)	4.01	-2.69	-14.54	1	4	0	46	410.362	5	↓ MOL2 SDF SMILES Flexibase

10509429

Analogs

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Popular Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-fluorophenyl)-8-thia-2,5-diazabicyclo[3.3.0]octa- N-[2-[(4-chlorophenyl)methyl]pyr…

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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)	4.94	0.91	-23.59	1	6	0	64	465.941	6	↓ MOL2 SDF SMILES Flexibase

10513648

Analogs

10513654

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Popular Name: 2-[2-[3-(4-fluorophenyl)-8-thia-2,5-diazabicyclo[3.3.0]octa-1,3,6-trien-6-yl]acetyl]amino-N-(tetrahy 2-[2-[3-(4-fluorophenyl)-8-thia-…

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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)	3.61	-2.2	-17.51	2	7	0	84	478.549	7	↓ MOL2 SDF SMILES Flexibase

10513654

Analogs

10513648

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-(4-fluorophenyl)-8-thia-2,5-diazabicyclo[3.3.0]octa-1,3,6-trien-6-yl]acetyl]amino-N-(tetrahy 2-[2-[3-(4-fluorophenyl)-8-thia-…

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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)	3.61	-2.15	-17.7	2	7	0	84	478.549	7	↓ MOL2 SDF SMILES Flexibase

10515334

Analogs

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Popular Name: N-cyclopropyl-3-[2-[3-(4-fluorophenyl)-8-thia-2,5-diazabicyclo[3.3.0]octa-1,3,6-trien-6-yl]acetyl]am N-cyclopropyl-3-[2-[3-(4-fluorop…

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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	-1.43	-29.33	2	6	0	75	434.496	6	↓ MOL2 SDF SMILES Flexibase

10517015

Analogs

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Popular Name: N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)-ac N-[4-(4-thia-1,6-diazabicyclo[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)	2.51	0.46	-25.77	1	6	0	64	365.462	4	↓ MOL2 SDF SMILES Flexibase

10517017

Analogs

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Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)pheny 2-[5-oxo-4-(2-thienyl)tetrazol-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)	2.09	8.48	-30.15	1	9	0	99	423.483	5	↓ MOL2 SDF SMILES Flexibase

10517018

Analogs

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Popular Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trie 3-[4-(difluoromethoxy)-5-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)	4.15	2.22	-31.77	1	9	0	111	486.456	8	↓ MOL2 SDF SMILES Flexibase

10517243

Analogs

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Popular Name: N-[7-(4-fluorophenyl)-2-thia-5,8-diazabicyclo[3.3.0]octa-3,6,8-trien-6-yl]-2-[5-oxo-4-(2-thienyl)tet N-[7-(4-fluorophenyl)-2-thia-5,8…

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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)	2.37	9.59	-20.55	1	9	0	99	441.473	5	↓ MOL2 SDF SMILES Flexibase

10517990

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)	3.95	0.69	-23.4	1	6	0	72	415.471	6	↓ MOL2 SDF SMILES Flexibase

50652564

Analogs

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Popular Name: 6-amino-N-cyclopropyl-N-propyl-imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-cyclopropyl-N-propyl-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)	1.49	4.28	-11.98	2	6	0	81	300.409	5	↓ MOL2 SDF SMILES Flexibase

50652623

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-propyl-imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-6-(methylamino)-N-propy…

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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)	1.50	3.93	-12.49	1	6	0	67	288.398	5	↓ MOL2 SDF SMILES Flexibase

50652625

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-propyl-imidazo[2,1-b]thiazole-5-sulfonamide 6-(ethylamino)-N-methyl-N-propyl…

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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)	1.87	4.75	-12.27	1	6	0	67	302.425	6	↓ MOL2 SDF SMILES Flexibase

50652627

Analogs

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Popular Name: N-methyl-N-propyl-6-(propylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-N-propyl-6-(propylamino…

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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	5.46	-11.91	1	6	0	67	316.452	7	↓ MOL2 SDF SMILES Flexibase

50652663

Analogs

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Popular Name: 6-amino-N-methyl-N-propyl-imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-methyl-N-propyl-imidaz…

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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)	1.12	2.75	-12.05	2	6	0	81	274.371	4	↓ MOL2 SDF SMILES Flexibase

50652735

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-[(2R)-2-methylbutyl]imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-6-(methylamino)-N-[(2R)…

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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)	2.24	4.97	-12.21	1	6	0	67	316.452	6	↓ MOL2 SDF SMILES Flexibase

50652736

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-[(2S)-2-methylbutyl]imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-6-(methylamino)-N-[(2S)…

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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)	2.24	5.01	-12.86	1	6	0	67	316.452	6	↓ MOL2 SDF SMILES Flexibase

50652738

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-[(2R)-2-methylbutyl]imidazo[2,1-b]thiazole-5-sulfonamide 6-(ethylamino)-N-methyl-N-[(2R)-…

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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)	2.62	5.8	-12.07	1	6	0	67	330.479	7	↓ MOL2 SDF SMILES Flexibase

50652739

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-[(2S)-2-methylbutyl]imidazo[2,1-b]thiazole-5-sulfonamide 6-(ethylamino)-N-methyl-N-[(2S)-…

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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)	2.62	5.85	-12.66	1	6	0	67	330.479	7	↓ MOL2 SDF SMILES Flexibase

50652790

Analogs

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Popular Name: 6-amino-N-methyl-N-[(2R)-2-methylbutyl]imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-methyl-N-[(2R)-2-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)	1.87	3.81	-11.88	2	6	0	81	302.425	5	↓ MOL2 SDF SMILES Flexibase

50652792

Analogs

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Popular Name: 6-amino-N-methyl-N-[(2S)-2-methylbutyl]imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-methyl-N-[(2S)-2-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)	1.87	3.97	-12.46	2	6	0	81	302.425	5	↓ MOL2 SDF SMILES Flexibase

50652846

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-pentyl-imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-6-(methylamino)-N-penty…

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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)	2.56	5.49	-12.31	1	6	0	67	316.452	7	↓ MOL2 SDF SMILES Flexibase

50652848

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-pentyl-imidazo[2,1-b]thiazole-5-sulfonamide 6-(ethylamino)-N-methyl-N-pentyl…

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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	6.31	-12.13	1	6	0	67	330.479	8	↓ MOL2 SDF SMILES Flexibase

50652876

Analogs

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Popular Name: 6-amino-N-methyl-N-pentyl-imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-methyl-N-pentyl-imidaz…

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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	4.31	-11.98	2	6	0	81	302.425	6	↓ MOL2 SDF SMILES Flexibase

50652935

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-(methylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-(cyclobutylmethyl)-6-(methylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	3.35	-12.14	2	6	0	76	300.409	5	↓ MOL2 SDF SMILES Flexibase

50652937

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-(ethylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-(cyclobutylmethyl)-6-(ethylami…

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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)	1.79	4.16	-11.88	2	6	0	76	314.436	6	↓ MOL2 SDF SMILES Flexibase

50652939

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-(propylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-(cyclobutylmethyl)-6-(propylam…

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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	4.93	-11.68	2	6	0	76	328.463	7	↓ MOL2 SDF SMILES Flexibase

50652975

Analogs

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Popular Name: 6-amino-N-(cyclobutylmethyl)imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-(cyclobutylmethyl)imid…

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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)	1.04	2.32	-11.81	3	6	0	89	286.382	4	↓ MOL2 SDF SMILES Flexibase

50653052

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-[(3R)-tetrahydrothiophen-3-yl]imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-6-(methylamino)-N-[(3R)…

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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)	1.26	4.62	-12.82	1	6	0	67	332.476	4	↓ MOL2 SDF SMILES Flexibase

50653053

Analogs

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Popular Name: N-methyl-6-(methylamino)-N-[(3S)-tetrahydrothiophen-3-yl]imidazo[2,1-b]thiazole-5-sulfonamide N-methyl-6-(methylamino)-N-[(3S)…

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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)	1.26	4.6	-12.64	1	6	0	67	332.476	4	↓ MOL2 SDF SMILES Flexibase

40235244

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)imidazo[2,1-b]thiazole-5-carbaldehyde 6-(N-ethyl-3-methyl-anilino)imid…

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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)	3.79	9.72	-11.31	0	4	0	38	285.372	4	↓ MOL2 SDF SMILES Flexibase

50653055

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]imidazo[2,1-b]thiazole-5-sulfonamide 6-(ethylamino)-N-methyl-N-[(3R)-…

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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)	1.64	5.44	-12.56	1	6	0	67	346.503	5	↓ MOL2 SDF SMILES Flexibase

50653057

Analogs

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Popular Name: 6-(ethylamino)-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]imidazo[2,1-b]thiazole-5-sulfonamide 6-(ethylamino)-N-methyl-N-[(3S)-…

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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)	1.64	5.42	-12.39	1	6	0	67	346.503	5	↓ MOL2 SDF SMILES Flexibase

40235252

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)imidazo[2,1-b]thiazole-5-carboxylic 6-(N-ethyl-3-methyl-anilino)imid…

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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)	3.57	9.33	-59.33	0	5	-1	61	300.363	4	↓ MOL2 SDF SMILES Flexibase

50653110

Analogs

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Popular Name: 6-amino-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-methyl-N-[(3R)-tetrahy…

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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)	0.89	3.6	-12.54	2	6	0	81	318.449	3	↓ MOL2 SDF SMILES Flexibase

50653111

Analogs

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Popular Name: 6-amino-N-methyl-N-[(3S)-tetrahydrothiophen-3-yl]imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-methyl-N-[(3S)-tetrahy…

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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)	0.89	3.63	-12.37	2	6	0	81	318.449	3	↓ MOL2 SDF SMILES Flexibase

50653191

Analogs

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Popular Name: 5-[(4-methoxy-1-piperidyl)sulfonyl]-N-methyl-imidazo[2,1-b]thiazol-6-amine 5-[(4-methoxy-1-piperidyl)sulfon…

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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)	0.26	3.29	-13.83	1	7	0	76	330.435	4	↓ MOL2 SDF SMILES Flexibase

50653224

Analogs

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Popular Name: 5-[(4-methoxy-1-piperidyl)sulfonyl]imidazo[2,1-b]thiazol-6-amine 5-[(4-methoxy-1-piperidyl)sulfon…

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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)	-0.11	2.24	-13.45	2	7	0	90	316.408	3	↓ MOL2 SDF SMILES Flexibase

40235327

Analogs

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Popular Name: [6-(N-ethyl-3-methyl-anilino)imidazo[2,1-b]thiazol-5-yl]methanol [6-(N-ethyl-3-methyl-anilino)imi…

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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	7.37	-14.24	1	4	0	41	287.388	4	↓ MOL2 SDF SMILES Flexibase

50653270

Analogs

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Popular Name: 6-(methylamino)-N-(1-methyl-4-piperidyl)imidazo[2,1-b]thiazole-5-sulfonamide 6-(methylamino)-N-(1-methyl-4-pi…

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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)	0.79	3.37	-47.05	3	7	1	80	330.459	4	↓ MOL2 SDF SMILES Flexibase

50653306

Analogs

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Popular Name: 6-amino-N-(1-methyl-4-piperidyl)imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-(1-methyl-4-piperidyl)…

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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)	0.42	2.32	-46.6	4	7	1	94	316.432	3	↓ MOL2 SDF SMILES Flexibase

50653367

Analogs

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Popular Name: N-(cyclopentylmethyl)-6-(methylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-(cyclopentylmethyl)-6-(methyla…

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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)	2.16	3.94	-12.08	2	6	0	76	314.436	5	↓ MOL2 SDF SMILES Flexibase

50653370

Analogs

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Popular Name: N-(cyclopentylmethyl)-6-(ethylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-(cyclopentylmethyl)-6-(ethylam…

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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	4.77	-11.82	2	6	0	76	328.463	6	↓ MOL2 SDF SMILES Flexibase

50653415

Analogs

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Popular Name: 6-amino-N-(cyclopentylmethyl)imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-(cyclopentylmethyl)imi…

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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)	1.78	2.92	-11.64	3	6	0	89	300.409	4	↓ MOL2 SDF SMILES Flexibase

50653528

Analogs

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Popular Name: N-[(1R)-1,3-dimethylbutyl]-6-(methylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-[(1R)-1,3-dimethylbutyl]-6-(me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	3.75	-12.01	2	6	0	76	316.452	6	↓ MOL2 SDF SMILES Flexibase

50653531

Analogs

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Popular Name: N-[(1S)-1,3-dimethylbutyl]-6-(methylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-[(1S)-1,3-dimethylbutyl]-6-(me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	3.73	-11.57	2	6	0	76	316.452	6	↓ MOL2 SDF SMILES Flexibase

50653534

Analogs

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Popular Name: N-[(1S)-1,3-dimethylbutyl]-6-(ethylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-[(1S)-1,3-dimethylbutyl]-6-(et…

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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)	2.73	4.49	-11.36	2	6	0	76	330.479	7	↓ MOL2 SDF SMILES Flexibase

50653537

Analogs

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Popular Name: N-[(1R)-1,3-dimethylbutyl]-6-(ethylamino)imidazo[2,1-b]thiazole-5-sulfonamide N-[(1R)-1,3-dimethylbutyl]-6-(et…

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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)	2.73	4.6	-11.72	2	6	0	76	330.479	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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