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ZINC Item

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49367263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-fluorobenzoyl)pipera…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.78	4.2	-18.51	2	7	0	92	381.458	5	↓ MOL2 SDF SMILES Flexibase

49367267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3-fluorobenzoyl)pipera…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	4.16	-17.14	2	7	0	92	381.458	5	↓ MOL2 SDF SMILES Flexibase

49367271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-fluorobenzoyl)pipera…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.83	4.17	-15.37	2	7	0	92	381.458	5	↓ MOL2 SDF SMILES Flexibase

49367276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3,4-difluorobenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	4.23	-17.4	2	7	0	92	399.448	5	↓ MOL2 SDF SMILES Flexibase

49367280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-[3-(trifluoromethyl)ben…

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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)	1.53	5.09	-17.52	2	7	0	92	431.465	6	↓ MOL2 SDF SMILES Flexibase

49367284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-[4-(trifluoromethyl)ben…

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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)	1.56	5.1	-15.65	2	7	0	92	431.465	6	↓ MOL2 SDF SMILES Flexibase

49367435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-benzoylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-(4-benzoylpiperazin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	4.1	-15.67	2	7	0	92	363.468	5	↓ MOL2 SDF SMILES Flexibase

49367439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-methylbenzoyl)pipera…

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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)	1.06	4.75	-15.04	2	7	0	92	377.495	5	↓ MOL2 SDF SMILES Flexibase

49367443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3-methylbenzoyl)pipera…

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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)	1.09	4.77	-15.73	2	7	0	92	377.495	5	↓ MOL2 SDF SMILES Flexibase

49367446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-methylbenzoyl)pipera…

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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)	1.11	4.78	-15.46	2	7	0	92	377.495	5	↓ MOL2 SDF SMILES Flexibase

49367450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3,5-dimethylbenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.49	5.41	-15.37	2	7	0	92	391.522	5	↓ MOL2 SDF SMILES Flexibase

49367455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-tert-butylbenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	6.42	-15.01	2	7	0	92	419.576	6	↓ MOL2 SDF SMILES Flexibase

49367459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2-methoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-methoxybenzoyl)piper…

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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)	1.22	3.61	-19.22	2	8	0	102	393.494	6	↓ MOL2 SDF SMILES Flexibase

49367463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3-methoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3-methoxybenzoyl)piper…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	3.4	-15.85	2	8	0	102	393.494	6	↓ MOL2 SDF SMILES Flexibase

49367467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2-ethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-ethoxybenzoyl)pipera…

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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)	1.60	4.54	-19.19	2	8	0	102	407.521	7	↓ MOL2 SDF SMILES Flexibase

49367471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-ethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-ethoxybenzoyl)pipera…

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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)	1.10	4.34	-15.83	2	8	0	102	407.521	7	↓ MOL2 SDF SMILES Flexibase

49367475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-isopropoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-isopropoxybenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.46	5.02	-16.2	2	8	0	102	421.548	7	↓ MOL2 SDF SMILES Flexibase

49367480

Analogs

31912013

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-butoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-butoxybenzoyl)pipera…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	5.91	-15.58	2	8	0	102	435.575	9	↓ MOL2 SDF SMILES Flexibase

49367484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2,4-dimethoxybenzoyl)p…

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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)	1.25	3.04	-18.68	2	9	0	111	423.52	7	↓ MOL2 SDF SMILES Flexibase

49367488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3,4-dimethoxybenzoyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.31	3.31	-18.62	2	9	0	111	423.52	7	↓ MOL2 SDF SMILES Flexibase

49367492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3,5-dimethoxybenzoyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	2.7	-17.17	2	9	0	111	423.52	7	↓ MOL2 SDF SMILES Flexibase

49367496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3,4-diethoxybenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	5.14	-18.36	2	9	0	111	451.574	9	↓ MOL2 SDF SMILES Flexibase

49367499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3,4,5-triethoxybenzoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	6.02	-18.3	2	10	0	120	495.627	11	↓ MOL2 SDF SMILES Flexibase

49367503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-chlorobenzoyl)pipera…

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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)	1.34	4.62	-15.02	2	7	0	92	397.913	5	↓ MOL2 SDF SMILES Flexibase

49367507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-bromobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-bromobenzoyl)piperaz…

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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)	1.47	4.72	-14.95	2	7	0	92	442.364	5	↓ MOL2 SDF SMILES Flexibase

49367511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2,6-difluorobenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	4.36	-18.51	2	7	0	92	399.448	5	↓ MOL2 SDF SMILES Flexibase

49367513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2,4-dichlorobenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.95	5.13	-15.65	2	7	0	92	432.358	5	↓ MOL2 SDF SMILES Flexibase

49367517

Analogs

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Popular Name: 2-[[5-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-chloro-6-fluoro-benz…

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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)	1.41	4.73	-17.51	2	7	0	92	415.903	5	↓ MOL2 SDF SMILES Flexibase

49367521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(5-chloro-2-methoxy-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	4.13	-17.63	2	8	0	102	427.939	6	↓ MOL2 SDF SMILES Flexibase

49367525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(3-nitrobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(3-nitrobenzoyl)piperaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	4.81	-21.88	2	10	0	138	408.465	6	↓ MOL2 SDF SMILES Flexibase

49367529

Analogs

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Popular Name: 2-[[5-[4-(4-nitrobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-nitrobenzoyl)piperaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.62	4.81	-18.18	2	10	0	138	408.465	6	↓ MOL2 SDF SMILES Flexibase

49367533

Analogs

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Popular Name: 2-[[5-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-methyl-3-nitro-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)	0.97	5.23	-20.16	2	10	0	138	422.492	6	↓ MOL2 SDF SMILES Flexibase

49367538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(4-methyl-3-nitro-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)	1.00	5.41	-21.83	2	10	0	138	422.492	6	↓ MOL2 SDF SMILES Flexibase

49367632

Analogs

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Popular Name: 2-[[5-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-methylsulfanylbenzoy…

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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)	1.05	5.12	-17.38	2	7	0	92	409.562	6	↓ MOL2 SDF SMILES Flexibase

49367636

Analogs

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Popular Name: 2-[[5-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-ethylsulfanylbenzoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	5.97	-17.32	2	7	0	92	423.589	7	↓ MOL2 SDF SMILES Flexibase

49367649

Analogs

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Popular Name: 2-[[5-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide 2-[[5-[4-(2-chloro-4-fluoro-benz…

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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)	1.43	4.69	-16	2	7	0	92	415.903	5	↓ MOL2 SDF SMILES Flexibase

49367677

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.45	5.61	-21.54	2	9	0	119	421.504	7	↓ MOL2 SDF SMILES Flexibase

49369121

Analogs

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Popular Name: 2-[[5-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(2,3-dimethoxybenzoyl)p…

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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)	1.41	5.19	-21.37	1	9	0	97	437.547	7	↓ MOL2 SDF SMILES Flexibase

49369127

Analogs

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Popular Name: 2-[[5-[4-(2-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(2-fluorobenzoyl)pipera…

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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)	1.15	5.7	-18.49	1	7	0	78	395.485	5	↓ MOL2 SDF SMILES Flexibase

49369130

Analogs

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Popular Name: 2-[[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(4-fluorobenzoyl)pipera…

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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)	1.20	5.68	-16.09	1	7	0	78	395.485	5	↓ MOL2 SDF SMILES Flexibase

49369133

Analogs

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Popular Name: 2-[[5-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(3,4-difluorobenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	5.73	-18.17	1	7	0	78	413.475	5	↓ MOL2 SDF SMILES Flexibase

49369136

Analogs

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Popular Name: N-methyl-2-[[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetami N-methyl-2-[[5-[4-[2-(trifluorom…

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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)	1.88	6.57	-18.41	1	7	0	78	445.492	6	↓ MOL2 SDF SMILES Flexibase

49369139

Analogs

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Popular Name: N-methyl-2-[[5-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetami N-methyl-2-[[5-[4-[4-(trifluorom…

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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)	1.93	6.61	-16.37	1	7	0	78	445.492	6	↓ MOL2 SDF SMILES Flexibase

49369164

Analogs

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Popular Name: 2-[[5-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acet 2-[[5-[4-[4-(dimethylsulfamoyl)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)	0.35	3.6	-20.92	1	10	0	116	484.629	7	↓ MOL2 SDF SMILES Flexibase

49369190

Analogs

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Popular Name: 2-[[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(2,4-difluorobenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	5.76	-17.3	1	7	0	78	413.475	5	↓ MOL2 SDF SMILES Flexibase

49369267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-benzoylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-(4-benzoylpiperazin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	5.61	-16.34	1	7	0	78	377.495	5	↓ MOL2 SDF SMILES Flexibase

49369270

Analogs

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Popular Name: N-methyl-2-[[5-[4-(3-methylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-methyl-2-[[5-[4-(3-methylbenzo…

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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)	1.46	6.25	-15.63	1	7	0	78	391.522	5	↓ MOL2 SDF SMILES Flexibase

49369273

Analogs

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Popular Name: N-methyl-2-[[5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-methyl-2-[[5-[4-(4-methylbenzo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.49	6.26	-15.4	1	7	0	78	391.522	5	↓ MOL2 SDF SMILES Flexibase

49369277

Analogs

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Popular Name: 2-[[5-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(3,5-dimethylbenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	6.9	-15.31	1	7	0	78	405.549	5	↓ MOL2 SDF SMILES Flexibase

49369280

Analogs

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Popular Name: 2-[[5-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-acetamide 2-[[5-[4-(3,4-dimethylbenzoyl)pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	6.81	-15.55	1	7	0	78	405.549	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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