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ZINC Item

Suppliers, Protomers, & Similar Substances

36637496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-morpholinosulfonyl-benzamid N-(2-dimethylaminoethyl)-N-([1,3…

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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)	2.69	6.76	-57.7	1	10	1	103	519.625	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	4.28	-14.2	0	10	0	102	518.617	7	↓ MOL2 SDF SMILES Flexibase

36637497

Analogs

16913607
10065941

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[butyl(methyl)sulfamoyl]-N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)ben 4-[butyl(methyl)sulfamoyl]-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)	4.28	9.61	-58.62	1	9	1	93	519.669	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.28	7.03	-14.11	0	9	0	92	518.661	10	↓ MOL2 SDF SMILES Flexibase

36637498

Analogs

10066893

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-methoxy-naphthalene-2-carbo N-(2-dimethylaminoethyl)-N-([1,3…

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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)	5.24	11.14	-46.67	1	7	1	65	450.54	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	8.65	-12.16	0	7	0	64	449.532	6	↓ MOL2 SDF SMILES Flexibase

36638094

Analogs

10065931
5121436

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-phenyl-benzamide N-(2-diethylaminoethyl)-N-([1,3]…

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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)	6.07	13.92	-49.58	1	6	1	56	474.606	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.07	11.89	-10.05	0	6	0	55	473.598	8	↓ MOL2 SDF SMILES Flexibase

36638095

Analogs

10065951

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-phenyl-quinoline-4-carboxami N-(2-diethylaminoethyl)-N-([1,3]…

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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)	6.41	14.8	-44.01	1	7	1	69	525.654	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.41	12.39	-10.66	0	7	0	68	524.646	8	↓ MOL2 SDF SMILES Flexibase

36638096

Analogs

10065960

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-oxo-benzo[f]chromene-2-carbo N-(2-diethylaminoethyl)-N-([1,3]…

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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)	5.44	14.11	-30.32	1	8	1	86	516.599	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.44	11.89	-15.18	0	8	0	85	515.591	7	↓ MOL2 SDF SMILES Flexibase

36638097

Analogs

10065963
10065962

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-pentoxy-benzamide N-(2-diethylaminoethyl)-N-([1,3]…

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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)	6.25	12.92	-41.62	1	7	1	65	484.642	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.25	11.08	-8.6	0	7	0	64	483.634	12	↓ MOL2 SDF SMILES Flexibase

36638098

Analogs

10065965
10065940

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-pentoxy-benzamide N-(2-diethylaminoethyl)-N-([1,3]…

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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)	6.28	13.06	-48.94	1	7	1	65	484.642	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.28	11.09	-8.8	0	7	0	64	483.634	12	↓ MOL2 SDF SMILES Flexibase

36638099

Analogs

10065966

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-diphenyl-acetamide N-(2-diethylaminoethyl)-N-([1,3]…

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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)	5.76	14.73	-51.68	1	6	1	56	488.633	9	↓ MOL2 SDF SMILES Flexibase

36638100

Analogs

10065938

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide 4-benzyl-N-(2-diethylaminoethyl)…

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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)	6.24	15.05	-49.13	1	6	1	56	488.633	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.24	12.96	-10.53	0	6	0	55	487.625	9	↓ MOL2 SDF SMILES Flexibase

36638101

Analogs

10065969

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenoxy-benzamide N-(2-diethylaminoethyl)-N-([1,3]…

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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)	6.01	12.83	-38.01	1	7	1	65	490.605	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.01	10.73	-9.46	0	7	0	64	489.597	9	↓ MOL2 SDF SMILES Flexibase

36638102

Analogs

10065975

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3,4,5-triethoxy-benzamide N-(2-diethylaminoethyl)-N-([1,3]…

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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)	5.04	12.77	-44.5	1	9	1	84	530.667	13	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.04	9.97	-9.94	0	9	0	83	529.659	13	↓ MOL2 SDF SMILES Flexibase

36643537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(diethylsulfamoyl)-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzam 4-(diethylsulfamoyl)-N-[3-(dimet…

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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)	3.86	9.77	-58.22	1	9	1	93	519.669	10	↓ MOL2 SDF SMILES Flexibase

36643539

Analogs

5122445

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-phenyl-benzamide N-[3-(dimethylamino)propyl]-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)	5.59	13.45	-53.55	1	6	1	56	460.579	7	↓ MOL2 SDF SMILES Flexibase

36643541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butoxy-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide 4-butoxy-N-[3-(dimethylamino)pro…

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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)	5.29	11.9	-52.91	1	7	1	65	456.588	10	↓ MOL2 SDF SMILES Flexibase

36643543

Analogs

36643550
36643615
36643262

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-phenyl-quinoline-4-carbo N-[3-(dimethylamino)propyl]-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)	5.92	14.31	-44.9	1	7	1	69	511.627	7	↓ MOL2 SDF SMILES Flexibase

36643544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-(2-thienyl)quinoline-4-c N-[3-(dimethylamino)propyl]-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)	5.71	13.38	-43.37	1	7	1	69	517.656	7	↓ MOL2 SDF SMILES Flexibase

36643546

Analogs

10068093

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide 4-benzyl-N-[3-(dimethylamino)pro…

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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)	5.76	14.49	-54.54	1	6	1	56	474.606	8	↓ MOL2 SDF SMILES Flexibase

36643548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3,4,5-triethoxy-benzamide N-[3-(dimethylamino)propyl]-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)	4.56	12.21	-46.62	1	9	1	84	516.64	12	↓ MOL2 SDF SMILES Flexibase

13792962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-1-methylsulfonyl-piperidine-2-carboxamide (2R)-N-([1,3]dioxolo[4,5-f][1,3]…

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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)	1.84	3.26	-15.34	1	8	0	98	383.451	3	↓ MOL2 SDF SMILES Flexibase

13792964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-1-methylsulfonyl-piperidine-2-carboxamide (2S)-N-([1,3]dioxolo[4,5-f][1,3]…

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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)	1.84	3.65	-18.37	1	8	0	98	383.451	3	↓ MOL2 SDF SMILES Flexibase

67338641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-1-oxido-pyridin-1-ium-2-carboxamide N-(2,2-difluoro-[1,3]dioxolo[4,5…

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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)	1.29	6.79	-39.83	1	7	0	86	351.29	2	↓ MOL2 SDF SMILES Flexibase

67578056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)urea (2,2-difluoro-[1,3]dioxolo[4,5-f…

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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)	2.12	0.79	-13.82	3	6	0	86	273.22	1	↓ MOL2 SDF SMILES Flexibase

38139114

Analogs

60232378

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-morpholinosulfonyl-benza N-[3-(dimethylamino)propyl]-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)	2.96	7.58	-57.92	1	10	1	103	533.652	8	↓ MOL2 SDF SMILES Flexibase

38139119

Analogs

60232374

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[[(2R)-2-methyl-1-piperi N-[3-(dimethylamino)propyl]-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)	4.35	10.62	-57.7	1	9	1	93	545.707	8	↓ MOL2 SDF SMILES Flexibase

38139120

Analogs

60232374

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[[(2S)-2-methyl-1-piperi N-[3-(dimethylamino)propyl]-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)	4.35	10.6	-57.28	1	9	1	93	545.707	8	↓ MOL2 SDF SMILES Flexibase

38139140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[benzyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl 4-[benzyl(methyl)sulfamoyl]-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)	4.51	11.62	-58.31	1	9	1	93	567.713	10	↓ MOL2 SDF SMILES Flexibase

38139148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl) 4-[benzyl(ethyl)sulfamoyl]-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)	4.88	12.84	-60.55	1	9	1	93	581.74	11	↓ MOL2 SDF SMILES Flexibase

38139156

Analogs

60232374

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[[(2R)-2-ethyl-1-piperid N-[3-(dimethylamino)propyl]-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)	4.88	11.06	-57.46	1	9	1	93	559.734	9	↓ MOL2 SDF SMILES Flexibase

38139157

Analogs

60232374

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Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[[(2S)-2-ethyl-1-piperid N-[3-(dimethylamino)propyl]-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)	4.88	11.17	-57.67	1	9	1	93	559.734	9	↓ MOL2 SDF SMILES Flexibase

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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 = 103192 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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