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ZINC Item

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9560711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[methoxy-(o-tolylamino)BLAHyl]-phenol 2-methoxy-4-[methoxy-(o-tolylami…

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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)	6.10	10.43	-11.31	2	6	0	68	431.517	5	↓ MOL2 SDF SMILES Flexibase

27315399

Analogs

34592732
34592735

Draw Identity 99% 90% 80% 70%

Popular Name: 3-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzonitrile 3-imidazo[2,1-b][1,3]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)	3.94	10.59	-14.93	0	3	0	41	275.336	1	↓ MOL2 SDF SMILES Flexibase

35893181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(6-methoxy-2-phenyl-imidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazin-1-yl]hexan-1-one 1-[4-[(6-methoxy-2-phenyl-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)	5.95	13.79	-16.5	0	6	0	50	476.646	8	↓ MOL2 SDF SMILES Flexibase

35893188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-[4-[(6-methoxy-2-phenyl-imidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazin-1-yl (3-methoxyphenyl)-[4-[(6-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)	4.77	12.62	-14.67	0	7	0	59	512.635	6	↓ MOL2 SDF SMILES Flexibase

35893237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-4-[(6-methoxy-2-phenyl-imidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazine-1-c N-(3-fluorophenyl)-4-[(6-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)	5.67	14.05	-16.69	1	7	0	62	515.614	5	↓ MOL2 SDF SMILES Flexibase

35893245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-4-[(6-methyl-2-phenyl-imidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazine-1-c N-(2-methoxyphenyl)-4-[(6-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)	5.93	13.94	-16.53	1	7	0	62	511.651	5	↓ MOL2 SDF SMILES Flexibase

35893278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-methoxy-2-phenyl-imidazo[2,1-b][1,3]benzothiazole 1-[[4-(benzenesulfonyl)piperazin…

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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)	5.09	11.47	-15.65	0	7	0	67	518.664	6	↓ MOL2 SDF SMILES Flexibase

13282173

Analogs

34592734

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-2-(4-ethylphenyl)imidazo[2,1-b][1,3]benzothiazole 6-chloro-2-(4-ethylphenyl)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)	5.78	12.15	-8.68	0	2	0	17	312.825	2	↓ MOL2 SDF SMILES Flexibase

1791792

Analogs

40964967

Draw Identity 99% 90% 80% 70%

Popular Name: butyl-(p-tolyl)BLAH butyl-(p-tolyl)BLAH

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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)	6.50	1.58	-10.09	0	2	0	17	320.461	4	↓ MOL2 SDF SMILES Flexibase

1791794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butyl-(2,4-dichlorophenyl)-BLAH butyl-(2,4-dichlorophenyl)-BLAH

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.34	1.42	-10.34	0	2	0	17	375.324	4	↓ MOL2 SDF SMILES Flexibase

65319284

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-isopropoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxy-phenol 4-[1-(3-isopropoxypropylamino)im…

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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	9.77	-15.36	2	6	0	68	411.527	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.53	9.82	-43.3	3	6	1	73	412.535	8	↓ MOL2 SDF SMILES Flexibase

65319285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[1-(2-methoxyethylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 2-methoxy-4-[1-(2-methoxyethylam…

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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)	3.52	7.2	-12.94	2	6	0	68	369.446	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.52	7.42	-38.28	3	6	1	73	370.454	6	↓ MOL2 SDF SMILES Flexibase

65319286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(tert-butylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxy-phenol 4-[1-(tert-butylamino)imidazo[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)	4.72	7.41	-15.88	2	5	0	59	367.474	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.72	8.33	-37.06	3	5	1	63	368.482	4	↓ MOL2 SDF SMILES Flexibase

65319287

Analogs

35514165

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-isopropoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 4-[1-(3-isopropoxypropylamino)im…

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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)	4.71	9.76	-13.69	2	5	0	59	381.501	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	9.83	-39.8	3	5	1	63	382.509	7	↓ MOL2 SDF SMILES Flexibase

65319288

Analogs

35514165

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 4-[1-(3-methoxypropylamino)imida…

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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)	3.97	8.06	-13.98	2	5	0	59	353.447	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.97	8.12	-39.98	3	5	1	63	354.455	6	↓ MOL2 SDF SMILES Flexibase

65319289

Analogs

35514167

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(2-methoxyethylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 4-[1-(2-methoxyethylamino)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)	3.70	7.21	-11.74	2	5	0	59	339.42	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.70	7.42	-34.73	3	5	1	63	340.428	5	↓ MOL2 SDF SMILES Flexibase

65319290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine N-tert-butyl-2-(3,5-dimethoxyphe…

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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)	5.42	8.88	-15.84	1	5	0	48	381.501	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.42	9.8	-34.34	2	5	1	52	382.509	5	↓ MOL2 SDF SMILES Flexibase

65319291

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxy-3-methoxy-phenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethoxy-3-methoxy-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)	4.47	10.53	-15.37	1	6	0	57	411.527	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.47	11.1	-43.42	2	6	1	62	412.535	9	↓ MOL2 SDF SMILES Flexibase

65319292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(tert-butylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]-2,6-dimethoxy-phenol 4-[1-(tert-butylamino)imidazo[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)	4.73	7.31	-16.87	2	6	0	68	397.5	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.73	8.22	-39.48	3	6	1	73	398.508	5	↓ MOL2 SDF SMILES Flexibase

65319293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine N-tert-butyl-2-(3,4,5-trimethoxy…

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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)	5.01	9.41	-16.61	1	6	0	57	411.527	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.01	10.33	-39.68	2	6	1	62	412.535	6	↓ MOL2 SDF SMILES Flexibase

65319294

Analogs

35514165

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethoxyphenyl)-N-(3-methoxyp…

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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)	4.88	10.63	-13.05	1	5	0	48	381.501	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	11.2	-38.83	2	5	1	52	382.509	8	↓ MOL2 SDF SMILES Flexibase

65319295

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(3-isopropoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(3,4-dimethoxyphenyl)-N-(3-iso…

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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	11.83	-16.03	1	6	0	57	425.554	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.83	11.89	-43.15	2	6	1	62	426.562	9	↓ MOL2 SDF SMILES Flexibase

65319296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine N-tert-butyl-2-(3,4-dimethoxyphe…

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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)	5.03	9.48	-16.41	1	5	0	48	381.501	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.03	10.4	-37.09	2	5	1	52	382.509	5	↓ MOL2 SDF SMILES Flexibase

65319297

Analogs

35514165
35514167

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-dimethylaminophenyl)-N-(3-methoxypropyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-dimethylaminophenyl)-N-(3-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)	4.97	11.46	-12.93	1	5	0	42	394.544	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.97	12.05	-37.34	2	5	1	46	395.552	7	↓ MOL2 SDF SMILES Flexibase

65319298

Analogs

35514165
35514167

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-[4-(diethylamino)phenyl]-N-(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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	12.79	-62.09	2	5	43	409.579	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.46	12.68	-13.28	1	5	42	408.571	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.46	13.35	-80.67	3	5	48	410.587	8	↓ MOL2 SDF SMILES Flexibase

65319299

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[1-(3-methoxypropylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 2-methoxy-4-[1-(3-methoxypropyla…

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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)	4.21	8.2	-14.44	2	6	0	68	397.5	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.21	8.77	-43.02	3	6	1	73	398.508	7	↓ MOL2 SDF SMILES Flexibase

65319300

Analogs

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Popular Name: 4-[1-(tert-butylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxy-phenol 4-[1-(tert-butylamino)-6-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)	5.14	8.07	-15.41	2	5	0	59	381.501	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.14	9.02	-36.47	3	5	1	63	382.509	4	↓ MOL2 SDF SMILES Flexibase

65319301

Analogs

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Popular Name: 4-[1-(3-isopropoxypropylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 4-[1-(3-isopropoxypropylamino)-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)	5.13	9.91	-13.02	2	5	0	59	395.528	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.13	10.49	-39.36	3	5	1	63	396.536	7	↓ MOL2 SDF SMILES Flexibase

65319302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-(3-methoxypropylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 4-[1-(3-methoxypropylamino)-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)	4.39	8.2	-13.24	2	5	0	59	367.474	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.39	8.78	-39.53	3	5	1	63	368.482	6	↓ MOL2 SDF SMILES Flexibase

65319303

Analogs

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Popular Name: 4-[1-(2-methoxyethylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 4-[1-(2-methoxyethylamino)-6-met…

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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	7.51	-13.9	2	5	0	59	353.447	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.12	8.08	-34.18	3	5	1	63	354.455	5	↓ MOL2 SDF SMILES Flexibase

65319304

Analogs

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Popular Name: 2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-bromophenyl)-N-(2-methoxyet…

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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)	5.41	10.99	-11.23	1	4	0	39	416.344	5	↓ MOL2 SDF SMILES Flexibase

65319305

Analogs

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Popular Name: 4-[1-(3-isopropoxypropylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]benzonitrile 4-[1-(3-isopropoxypropylamino)-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)	5.37	13.16	-12.31	1	5	0	62	404.539	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.37	13.74	-45.62	2	5	1	67	405.547	7	↓ MOL2 SDF SMILES Flexibase

65319306

Analogs

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Popular Name: 2-(4-ethoxy-3-methoxy-phenyl)-N-(3-methoxypropyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethoxy-3-methoxy-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)	4.89	11.2	-14.63	1	6	0	57	425.554	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.89	11.77	-42.95	2	6	1	62	426.562	9	↓ MOL2 SDF SMILES Flexibase

65319307

Analogs

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Popular Name: 2-(4-ethoxy-3-methoxy-phenyl)-N-(2-methoxyethyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethoxy-3-methoxy-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)	4.62	10.52	-15.53	1	6	0	57	411.527	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.62	11.07	-37.68	2	6	1	62	412.535	8	↓ MOL2 SDF SMILES Flexibase

65319308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-(3-isopropoxypropylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxy-phenol 5-[1-(3-isopropoxypropylamino)-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)	4.95	9.92	-14.98	2	6	0	68	425.554	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.95	10.48	-38.15	3	6	1	73	426.562	8	↓ MOL2 SDF SMILES Flexibase

65319309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-(tert-butylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]-2-methoxy-phenol 5-[1-(tert-butylamino)-6-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)	5.14	8.08	-16.63	2	5	0	59	381.501	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.14	9.02	-33.84	3	5	1	63	382.509	4	↓ MOL2 SDF SMILES Flexibase

65319310

Analogs

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Popular Name: 4-[1-(3-isopropoxypropylamino)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-2-yl]-2,6-dimethoxy-phenol 4-[1-(3-isopropoxypropylamino)-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)	4.97	9.67	-15.17	2	7	0	77	455.58	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.97	10.38	-43.36	3	7	1	82	456.588	9	↓ MOL2 SDF SMILES Flexibase

65319311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropoxypropyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine N-(3-isopropoxypropyl)-6-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)	5.24	11.76	-14.98	1	7	0	66	469.607	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.24	12.49	-43.48	2	7	1	71	470.615	10	↓ MOL2 SDF SMILES Flexibase

65319312

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-6-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine N-(3-methoxypropyl)-6-methyl-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)	4.50	10.05	-15.24	1	7	0	66	441.553	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.50	10.78	-43.78	2	7	1	71	442.561	9	↓ MOL2 SDF SMILES Flexibase

65319313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-6-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine N-tert-butyl-6-methyl-2-(3,4,5-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)	5.43	10.08	-16.17	1	6	0	57	425.554	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.43	11.01	-39.1	2	6	1	62	426.562	6	↓ MOL2 SDF SMILES Flexibase

65319314

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-(3-methoxypropyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethoxyphenyl)-N-(3-methoxyp…

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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)	5.30	11.29	-12.31	1	5	0	48	395.528	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.30	11.87	-38.34	2	5	1	52	396.536	8	↓ MOL2 SDF SMILES Flexibase

65319315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethoxyphenyl)-N-(2-methoxye…

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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)	5.04	10.6	-12.82	1	5	0	48	381.501	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.04	11.17	-33.17	2	5	1	52	382.509	7	↓ MOL2 SDF SMILES Flexibase

65319316

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(3,4-dimethoxyphenyl)-N-(3-met…

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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)	4.52	10.27	-14.8	1	6	0	57	411.527	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.52	10.84	-43.03	2	6	1	62	412.535	8	↓ MOL2 SDF SMILES Flexibase

65319317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(3,4-dimethoxyphenyl)-N-(2-met…

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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)	4.25	9.58	-15.57	1	6	0	57	397.5	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.25	10.14	-37.65	2	6	1	62	398.508	7	↓ MOL2 SDF SMILES Flexibase

65319318

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-(3-methoxypropyl)-6-methyl-imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(2-methoxyphenyl)-N-(3-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)	4.88	10.26	-15.07	1	5	0	48	381.501	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.88	11	-38.8	2	5	1	52	382.509	7	↓ MOL2 SDF SMILES Flexibase

65319319

Analogs

35514167

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-dimethylaminophenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-dimethylaminophenyl)-6-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)	4.31	9.4	-13.75	1	6	0	51	396.516	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.31	10.16	-67.11	2	6	0	52	397.524	7	↓ MOL2 SDF SMILES Flexibase

65319320

Analogs

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Popular Name: 2-(4-ethylphenyl)-6-methoxy-N-(3-methoxypropyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethylphenyl)-6-methoxy-N-(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)	5.39	11.13	-11.98	1	5	0	48	395.528	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.39	11.7	-39.49	2	5	1	52	396.536	8	↓ MOL2 SDF SMILES Flexibase

65319321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethylphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-(4-ethylphenyl)-6-methoxy-N-(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)	5.12	10.43	-12.77	1	5	0	48	381.501	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.12	11	-34.05	2	5	1	52	382.509	7	↓ MOL2 SDF SMILES Flexibase

65319322

Analogs

35514167

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(diethylamino)phenyl]-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine 2-[4-(diethylamino)phenyl]-6-met…

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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)	5.07	11.08	-67.62	2	6	0	52	425.578	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.07	11.3	-13.28	1	6	0	51	424.57	9	↓ MOL2 SDF SMILES Flexibase

65319323

Analogs

35514168

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[6-methoxy-1-(3-methoxypropylamino)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenol 2-methoxy-4-[6-methoxy-1-(3-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)	3.82	7.32	-15.01	2	7	0	77	413.499	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.82	7.4	-45.28	3	7	1	82	414.507	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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