ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

10515394

Analogs

39710635
39710637
39710639
39710641
39710643

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-acetamide N-benzyl-N-(6-chloro-4-methyl-be…

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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	0.9	-14.26	0	3	0	33	330.84	3	↓ MOL2 SDF SMILES Flexibase

10515503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-pentanamide N-benzyl-N-(6-chloro-4-methyl-be…

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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)	5.62	1.67	-5.11	0	3	0	33	372.921	6	↓ MOL2 SDF SMILES Flexibase

10515507

Analogs

39710693
7598699

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-(6-chloro-4-methyl-benzothiazol-2-yl)-2,2-dimethyl-propanamide N-benzyl-N-(6-chloro-4-methyl-be…

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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)	6.05	1.23	-6.26	0	3	0	33	372.921	4	↓ MOL2 SDF SMILES Flexibase

52880002

Analogs

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Popular Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-2-phenyl-propanoic (2R)-2-(1,3-benzothiazol-2-ylami…

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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	9.32	-55.67	1	4	-1	65	297.359	4	↓ MOL2 SDF SMILES Flexibase

52880004

Analogs

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Popular Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-2-phenyl-propanoic (2S)-2-(1,3-benzothiazol-2-ylami…

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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	9.32	-55.72	1	4	-1	65	297.359	4	↓ MOL2 SDF SMILES Flexibase

52899390

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine N-[[4-(2-aminoethyl)phenyl]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)	2.73	6.79	-50.65	4	3	1	53	284.408	5	↓ MOL2 SDF SMILES Flexibase

52926051

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-1,3-benzothiazol-2-amine N-[(3-aminophenyl)methyl]-1,3-be…

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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	5.84	-7.61	3	3	0	51	255.346	3	↓ MOL2 SDF SMILES Flexibase

19989852

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1,3-benzothiazol-2-amine N-[(2-chlorophenyl)methyl]-1,3-b…

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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)	4.38	8.39	-7.99	1	2	0	25	274.776	3	↓ MOL2 SDF SMILES Flexibase

20000360

Analogs

34464237
34651805
34651807

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-phenylethyl]-1,3-benzothiazol-2-amine N-[(1R)-1-phenylethyl]-1,3-benzo…

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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	8.72	-7.49	1	2	0	25	254.358	3	↓ MOL2 SDF SMILES Flexibase

20000363

Analogs

34464237
34651805
34651807

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine N-[(1S)-1-phenylethyl]-1,3-benzo…

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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	8.72	-7.5	1	2	0	25	254.358	3	↓ MOL2 SDF SMILES Flexibase

12854742

Analogs

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Popular Name: 3-acetamido-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide 3-acetamido-N-benzyl-N-(6-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	8.13	-23.58	1	6	0	72	383.473	7	↓ MOL2 SDF SMILES Flexibase

54449325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-2-phenyl-acetamide (2S)-2-(1,3-benzothiazol-2-ylami…

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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)	2.67	5	-12.91	3	4	0	68	283.356	4	↓ MOL2 SDF SMILES Flexibase

54449328

Analogs

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Popular Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-2-phenyl-acetamide (2R)-2-(1,3-benzothiazol-2-ylami…

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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)	2.67	5	-12.87	3	4	0	68	283.356	4	↓ MOL2 SDF SMILES Flexibase

52471845

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine N-[(2,3-dimethoxyphenyl)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)	3.57	7.74	-9.88	1	4	0	43	300.383	5	↓ MOL2 SDF SMILES Flexibase

52473899

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-1,3-benzothiazol-2-amine N-[(2,4-dimethoxyphenyl)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)	3.79	6.67	-9.1	1	4	0	43	300.383	5	↓ MOL2 SDF SMILES Flexibase

15941053

Analogs

21668264

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide 3-acetamido-N-benzyl-N-(4-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)	2.46	9.44	-26.72	1	5	0	62	367.474	6	↓ MOL2 SDF SMILES Flexibase

63001584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-2-phenyl-ethanol (2S)-2-(1,3-benzothiazol-2-ylami…

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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)	3.30	5.66	-7.37	2	3	0	45	270.357	4	↓ MOL2 SDF SMILES Flexibase

63001585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-2-phenyl-ethanol (2R)-2-(1,3-benzothiazol-2-ylami…

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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)	3.30	5.66	-7.39	2	3	0	45	270.357	4	↓ MOL2 SDF SMILES Flexibase

48962873

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-1,3-benzothiazol-2-amine N-[(4-methylsulfanylphenyl)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)	4.18	9.07	-7.47	1	2	0	25	286.425	4	↓ MOL2 SDF SMILES Flexibase

49227863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,3-benzothiazol-2-ylamino)methyl]phenol 3-[(1,3-benzothiazol-2-ylamino)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)	3.25	5.12	-8.88	2	3	0	45	256.33	3	↓ MOL2 SDF SMILES Flexibase

37206106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-N-[(4-chlorophenyl)methyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(4-chlorophenyl)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)	5.06	9.07	-6.57	1	2	0	25	309.221	3	↓ MOL2 SDF SMILES Flexibase

37206121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(4-chlorophenyl)methyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(4-chlorophenyl)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)	5.21	9.17	-5.6	1	2	0	25	353.672	3	↓ MOL2 SDF SMILES Flexibase

37206122

Analogs

53159394

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(4-chlorophenyl)methyl]-5-flu…

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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)	4.57	8.62	-6.17	1	2	0	25	292.766	3	↓ MOL2 SDF SMILES Flexibase

37206133

Analogs

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Popular Name: 7-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S)-1-(2,4-dichloro…

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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)	6.22	10.31	-6.96	1	2	0	25	357.693	3	↓ MOL2 SDF SMILES Flexibase

37206134

Analogs

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Popular Name: 7-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R)-1-(2,4-dichloro…

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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)	6.22	10.29	-6.87	1	2	0	25	357.693	3	↓ MOL2 SDF SMILES Flexibase

37206135

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S)-1-(2,4-dichlorop…

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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)	6.38	10.41	-6.53	1	2	0	25	402.144	3	↓ MOL2 SDF SMILES Flexibase

37206136

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R)-1-(2,4-dichlorop…

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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)	6.38	10.39	-6.47	1	2	0	25	402.144	3	↓ MOL2 SDF SMILES Flexibase

37206137

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1S)-1-(2,4-dichlorophenyl)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)	5.73	9.87	-7.16	1	2	0	25	341.238	3	↓ MOL2 SDF SMILES Flexibase

37206138

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine N-[(1R)-1-(2,4-dichlorophenyl)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)	5.73	9.85	-7.08	1	2	0	25	341.238	3	↓ MOL2 SDF SMILES Flexibase

37206139

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1S)-1-(2,4-dichlorophenyl)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)	6.02	10.55	-6.84	1	2	0	25	337.275	3	↓ MOL2 SDF SMILES Flexibase

37206140

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine N-[(1R)-1-(2,4-dichlorophenyl)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)	6.02	10.35	-6.85	1	2	0	25	337.275	3	↓ MOL2 SDF SMILES Flexibase

37206141

Analogs

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Popular Name: 5-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S)-1-(2,4-dichloro…

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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	10.31	-6.63	1	2	0	25	357.693	3	↓ MOL2 SDF SMILES Flexibase

37206142

Analogs

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Popular Name: 5-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R)-1-(2,4-dichloro…

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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	10.29	-6.57	1	2	0	25	357.693	3	↓ MOL2 SDF SMILES Flexibase

37206231

Analogs

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Popular Name: 7-chloro-N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S)-1-phenylethyl]-…

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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	9.35	-6.42	1	2	0	25	288.803	3	↓ MOL2 SDF SMILES Flexibase

37206232

Analogs

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Popular Name: 7-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R)-1-phenylethyl]-…

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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	9.35	-6.42	1	2	0	25	288.803	3	↓ MOL2 SDF SMILES Flexibase

37206233

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S)-1-phenylethyl]-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)	5.10	9.45	-5.6	1	2	0	25	333.254	3	↓ MOL2 SDF SMILES Flexibase

37206234

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-phenylethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R)-1-phenylethyl]-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)	5.10	9.45	-5.58	1	2	0	25	333.254	3	↓ MOL2 SDF SMILES Flexibase

37206235

Analogs

53159394

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Popular Name: 5-fluoro-N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[(1S)-1-phenylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	8.9	-6.1	1	2	0	25	272.348	3	↓ MOL2 SDF SMILES Flexibase

37206236

Analogs

53159394

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Popular Name: 5-fluoro-N-[(1R)-1-phenylethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[(1R)-1-phenylethyl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	8.91	-6.07	1	2	0	25	272.348	3	↓ MOL2 SDF SMILES Flexibase

37206237

Analogs

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Popular Name: 5-chloro-N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S)-1-phenylethyl]-…

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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)	4.96	9.34	-5.66	1	2	0	25	288.803	3	↓ MOL2 SDF SMILES Flexibase

37206238

Analogs

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Popular Name: 5-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R)-1-phenylethyl]-…

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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)	4.96	9.34	-5.64	1	2	0	25	288.803	3	↓ MOL2 SDF SMILES Flexibase

37206292

Analogs

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Popular Name: 7-chloro-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(2-methoxyphenyl)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)	4.39	7.89	-7.62	1	3	0	34	304.802	4	↓ MOL2 SDF SMILES Flexibase

37206293

Analogs

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Popular Name: 5-bromo-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(2-methoxyphenyl)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)	4.55	7.99	-6.7	1	3	0	34	349.253	4	↓ MOL2 SDF SMILES Flexibase

37206294

Analogs

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Popular Name: 5-fluoro-N-[(2-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[(2-methoxyphenyl)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)	3.90	7.45	-7.31	1	3	0	34	288.347	4	↓ MOL2 SDF SMILES Flexibase

37206295

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-5-methyl-1,3-benzothiazol-2-amine N-[(2-methoxyphenyl)methyl]-5-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)	4.18	7.97	-8.43	1	3	0	34	284.384	4	↓ MOL2 SDF SMILES Flexibase

37206301

Analogs

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Popular Name: N-benzyl-7-chloro-1,3-benzothiazol-2-amine N-benzyl-7-chloro-1,3-benzothiaz…

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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)	4.38	8.54	-6.26	1	2	0	25	274.776	3	↓ MOL2 SDF SMILES Flexibase

37206302

Analogs

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Popular Name: N-benzyl-5-bromo-1,3-benzothiazol-2-amine N-benzyl-5-bromo-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)	4.54	8.65	-5.35	1	2	0	25	319.227	3	↓ MOL2 SDF SMILES Flexibase

37206303

Analogs

53159394

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Popular Name: N-benzyl-5-fluoro-1,3-benzothiazol-2-amine N-benzyl-5-fluoro-1,3-benzothiaz…

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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)	3.89	8.1	-5.86	1	2	0	25	258.321	3	↓ MOL2 SDF SMILES Flexibase

37206422

Analogs

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Popular Name: 7-chloro-N-[(2-chlorophenyl)methyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(2-chlorophenyl)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)	5.01	8.96	-6.95	1	2	0	25	309.221	3	↓ MOL2 SDF SMILES Flexibase

37206423

Analogs

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Popular Name: 5-bromo-N-[(2-chlorophenyl)methyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(2-chlorophenyl)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)	5.17	9.06	-6.03	1	2	0	25	353.672	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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