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ZINC Item

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64980414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxy-acetamide N-[3-(2-methoxyphenyl)-[1,2,4]tr…

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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)	3.27	9.54	-22.69	1	8	0	91	381.417	6	↓ MOL2 SDF SMILES Flexibase

64980415

Analogs

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Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxy-acetamide N-[3-(3-fluoro-4-methyl-phenyl)-…

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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)	3.80	10.63	-17.87	1	7	0	81	383.408	5	↓ MOL2 SDF SMILES Flexibase

64980417

Analogs

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Popular Name: N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2-methylphenoxy)acetamide N-[3-(2-methoxyphenyl)-[1,2,4]tr…

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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)	3.67	10.26	-22.38	1	8	0	91	395.444	6	↓ MOL2 SDF SMILES Flexibase

64980418

Analogs

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Popular Name: N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(3-methylphenoxy)acetamide N-[3-(2-methoxyphenyl)-[1,2,4]tr…

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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	10.22	-22.77	1	8	0	91	395.444	6	↓ MOL2 SDF SMILES Flexibase

64980419

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(4-methylphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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	11.11	-19.16	1	7	0	81	399.863	5	↓ MOL2 SDF SMILES Flexibase

64980420

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2,3-dimethylphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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	11.71	-18.99	1	7	0	81	413.89	5	↓ MOL2 SDF SMILES Flexibase

64980422

Analogs

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Popular Name: 2-(2,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamid 2-(2,5-dimethylphenoxy)-N-[3-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	10.61	-18.68	1	8	0	91	409.471	6	↓ MOL2 SDF SMILES Flexibase

64980423

Analogs

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Popular Name: 2-(2,5-dimethylphenoxy)-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamid 2-(2,5-dimethylphenoxy)-N-[3-(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)	4.10	10.92	-22.2	1	8	0	91	409.471	6	↓ MOL2 SDF SMILES Flexibase

64980424

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2,5-dimethylphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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)	4.74	11.82	-18.77	1	7	0	81	413.89	5	↓ MOL2 SDF SMILES Flexibase

64980425

Analogs

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Popular Name: 2-(2,5-dimethylphenoxy)-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl 2-(2,5-dimethylphenoxy)-N-[3-(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)	4.63	12.02	-19.23	1	7	0	81	411.462	5	↓ MOL2 SDF SMILES Flexibase

64980426

Analogs

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Popular Name: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(3,4-dimethylphenoxy)acet N-[3-(3,4-dimethoxyphenyl)-[1,2,…

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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)	3.73	10.37	-21.29	1	9	0	100	439.497	7	↓ MOL2 SDF SMILES Flexibase

64980427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(3,4-dimethylphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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)	4.74	11.67	-19.31	1	7	0	81	413.89	5	↓ MOL2 SDF SMILES Flexibase

64980428

Analogs

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Popular Name: 2-(3,4-dimethylphenoxy)-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl 2-(3,4-dimethylphenoxy)-N-[3-(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)	4.63	11.87	-19.8	1	7	0	81	411.462	5	↓ MOL2 SDF SMILES Flexibase

64980430

Analogs

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Popular Name: 2-(3,5-dimethylphenoxy)-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(3,5-dimethylphenoxy)-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)	4.51	11.92	-19.25	1	7	0	81	393.472	5	↓ MOL2 SDF SMILES Flexibase

64980431

Analogs

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Popular Name: 2-(3,5-dimethylphenoxy)-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamid 2-(3,5-dimethylphenoxy)-N-[3-(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)	4.10	10.87	-22.53	1	8	0	91	409.471	6	↓ MOL2 SDF SMILES Flexibase

64980432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(3,5-dimethylphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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)	4.74	11.77	-19.14	1	7	0	81	413.89	5	↓ MOL2 SDF SMILES Flexibase

64980434

Analogs

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Popular Name: 2-(2-ethylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide 2-(2-ethylphenoxy)-N-(3-phenyl-[…

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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)	4.13	11.39	-18.97	1	7	0	81	379.445	6	↓ MOL2 SDF SMILES Flexibase

64980435

Analogs

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Popular Name: 2-(2-ethylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(2-ethylphenoxy)-N-[3-(4-metho…

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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)	4.19	10.69	-18.66	1	8	0	91	409.471	7	↓ MOL2 SDF SMILES Flexibase

64980436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethylphenoxy)-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(2-ethylphenoxy)-N-[3-(2-metho…

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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)	4.14	11	-22.22	1	8	0	91	409.471	7	↓ MOL2 SDF SMILES Flexibase

64980437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2-ethylphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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)	4.78	11.9	-18.69	1	7	0	81	413.89	6	↓ MOL2 SDF SMILES Flexibase

64980439

Analogs

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Popular Name: 2-(4-ethylphenoxy)-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(4-ethylphenoxy)-N-[3-(2-metho…

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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)	4.19	10.98	-22.37	1	8	0	91	409.471	7	↓ MOL2 SDF SMILES Flexibase

64980440

Analogs

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Popular Name: 2-(4-ethylphenoxy)-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acet 2-(4-ethylphenoxy)-N-[3-(3-fluor…

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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	12.08	-19.47	1	7	0	81	411.462	6	↓ MOL2 SDF SMILES Flexibase

64980441

Analogs

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Popular Name: 2-(4-tert-butylphenoxy)-N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acet 2-(4-tert-butylphenoxy)-N-[3-(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)	4.62	11.46	-20.83	1	9	0	100	467.551	8	↓ MOL2 SDF SMILES Flexibase

64980442

Analogs

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Popular Name: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2-isopropyl-5-methyl-phe N-[3-(3,4-dimethoxyphenyl)-[1,2,…

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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)	4.33	11.77	-20.6	1	9	0	100	467.551	8	↓ MOL2 SDF SMILES Flexibase

64980443

Analogs

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Popular Name: 2-(4-methoxyphenoxy)-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(4-methoxyphenoxy)-N-[3-(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)	3.33	8.83	-23.83	1	9	0	100	411.443	7	↓ MOL2 SDF SMILES Flexibase

64980444

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(4-methoxyphenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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	9.72	-20.39	1	8	0	91	415.862	6	↓ MOL2 SDF SMILES Flexibase

64980445

Analogs

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Popular Name: N-[3-(3-chloro-4-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(4-methoxyphenoxy)ac N-[3-(3-chloro-4-fluoro-phenyl)-…

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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)	4.09	9.77	-19.3	1	8	0	91	433.852	6	↓ MOL2 SDF SMILES Flexibase

64980446

Analogs

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Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(4-methoxyphenoxy)ac N-[3-(3-fluoro-4-methyl-phenyl)-…

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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	9.92	-19.08	1	8	0	91	413.434	6	↓ MOL2 SDF SMILES Flexibase

64980448

Analogs

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Popular Name: 2-(2-fluorophenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(2-fluorophenoxy)-N-[3-(4-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)	3.44	9.29	-23.23	1	8	0	91	399.407	6	↓ MOL2 SDF SMILES Flexibase

64980449

Analogs

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Popular Name: N-[3-(3-chloro-4-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2-fluorophenoxy)ace N-[3-(3-chloro-4-fluoro-phenyl)-…

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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	10.55	-22.25	1	7	0	81	421.816	5	↓ MOL2 SDF SMILES Flexibase

64980450

Analogs

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Popular Name: N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(2-fluorophenoxy)ace N-[3-(3-fluoro-4-methyl-phenyl)-…

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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)	3.92	10.7	-21.93	1	7	0	81	401.398	5	↓ MOL2 SDF SMILES Flexibase

64980451

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-(4-fluorophenoxy)acetamide N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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)	4.08	10.5	-19.02	1	7	0	81	403.826	5	↓ MOL2 SDF SMILES Flexibase

64980452

Analogs

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Popular Name: N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[3-(trifluoromethyl)phenoxy]a N-[3-(4-methoxyphenyl)-[1,2,4]tr…

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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)	4.19	10.23	-22.62	1	8	0	91	449.414	7	↓ MOL2 SDF SMILES Flexibase

64980453

Analogs

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Popular Name: N-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-[3-(trifluoromethyl)phenoxy]ac N-[3-(3-chlorophenyl)-[1,2,4]tri…

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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)	4.79	11.44	-21.15	1	7	0	81	453.833	6	↓ MOL2 SDF SMILES Flexibase

64980454

Analogs

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Popular Name: 2-(2-chlorophenoxy)-N-[3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(2-chlorophenoxy)-N-[3-(2-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)	3.90	10.08	-25.33	1	8	0	91	415.862	6	↓ MOL2 SDF SMILES Flexibase

64980455

Analogs

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Popular Name: 2-(2-chlorophenoxy)-N-[3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ace 2-(2-chlorophenoxy)-N-[3-(3-fluo…

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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)	4.43	11.17	-20.4	1	7	0	81	417.853	5	↓ MOL2 SDF SMILES Flexibase

64980457

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide 2-(4-chlorophenoxy)-N-[3-(m-toly…

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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	11.11	-19.98	1	7	0	81	399.863	5	↓ MOL2 SDF SMILES Flexibase

64980462

Analogs

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Popular Name: (2S)-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxy-butanamide (2S)-N-[3-(m-tolyl)-[1,2,4]triaz…

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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	11.76	-17.56	1	7	0	81	393.472	6	↓ MOL2 SDF SMILES Flexibase

64980463

Analogs

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Popular Name: (2R)-N-[3-(m-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxy-butanamide (2R)-N-[3-(m-tolyl)-[1,2,4]triaz…

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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	11.78	-17.61	1	7	0	81	393.472	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 375246
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 375246 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=375246&filter.purchasability=annotated

Embed Link to Results

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