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ZINC Item

Suppliers, Protomers, & Similar Substances

8980537

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.53	2.6	-11.9	1	8	0	99	349.416	7	↓ MOL2 SDF SMILES Flexibase

52894290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-ethylphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.58	6.62	-11.1	1	6	0	73	303.391	7	↓ MOL2 SDF SMILES Flexibase

52894317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-acetylphenyl)-2-(1-allyltetrazol-5-yl)sulfanyl-propanamide (2S)-N-(4-acetylphenyl)-2-(1-all…

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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	6.28	-13.85	1	7	0	90	331.401	7	↓ MOL2 SDF SMILES Flexibase

52894319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-acetylphenyl)-2-(1-allyltetrazol-5-yl)sulfanyl-propanamide (2R)-N-(4-acetylphenyl)-2-(1-all…

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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	6.27	-13.67	1	7	0	90	331.401	7	↓ MOL2 SDF SMILES Flexibase

52894325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	1.98	6.58	-18.34	1	9	0	119	334.361	7	↓ MOL2 SDF SMILES Flexibase

52894327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-nitrophenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	1.98	6.58	-18.19	1	9	0	119	334.361	7	↓ MOL2 SDF SMILES Flexibase

52894332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,4-dichlorophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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	7.02	-8.37	1	6	0	73	358.254	6	↓ MOL2 SDF SMILES Flexibase

52894334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,4-dichlorophenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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	7.02	-8.32	1	6	0	73	358.254	6	↓ MOL2 SDF SMILES Flexibase

52894355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(4-ethylphenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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	7.31	-10.49	1	6	0	73	317.418	7	↓ MOL2 SDF SMILES Flexibase

52894370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-chloro-4-nitro-phenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.61	7.23	-11.27	1	9	0	119	368.806	7	↓ MOL2 SDF SMILES Flexibase

52894405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-chloro-4-fluoro-phenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.82	6.58	-8.72	1	6	0	73	341.799	6	↓ MOL2 SDF SMILES Flexibase

52894407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-chloro-4-fluoro-phenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.82	6.57	-8.6	1	6	0	73	341.799	6	↓ MOL2 SDF SMILES Flexibase

52894429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,4,6-trichlorophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	7.76	-9.25	1	6	0	73	392.699	6	↓ MOL2 SDF SMILES Flexibase

52894432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,4,6-trichlorophenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	7.76	-9.26	1	6	0	73	392.699	6	↓ MOL2 SDF SMILES Flexibase

52894441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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	7.03	-9.24	1	6	0	73	358.254	6	↓ MOL2 SDF SMILES Flexibase

52894462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.02	6.79	-15.06	1	9	0	119	334.361	7	↓ MOL2 SDF SMILES Flexibase

52894474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	1.94	5.36	-11.07	1	6	0	73	311.317	6	↓ MOL2 SDF SMILES Flexibase

52894508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	1.96	6.87	-11.65	1	9	0	119	334.361	7	↓ MOL2 SDF SMILES Flexibase

52894510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	1.96	6.94	-11.94	1	9	0	119	334.361	7	↓ MOL2 SDF SMILES Flexibase

52894532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.90	5.32	-14.52	1	7	0	82	375.788	8	↓ MOL2 SDF SMILES Flexibase

52894576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,6-diisopropylphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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	9.27	-10.29	1	6	0	73	359.499	8	↓ MOL2 SDF SMILES Flexibase

52894613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.21	9.61	-15.81	0	7	0	88	356.455	8	↓ MOL2 SDF SMILES Flexibase

52894823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(o-tolyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.45	6.78	-10.4	1	6	0	73	303.391	6	↓ MOL2 SDF SMILES Flexibase

52895006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	1.73	3.78	-14.13	1	8	0	91	335.389	8	↓ MOL2 SDF SMILES Flexibase

52895124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-bromo-4-methyl-phenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.87	6.6	-9.6	1	6	0	73	368.26	6	↓ MOL2 SDF SMILES Flexibase

52895130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(5-chloro-2-methoxy-phenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.35	5.12	-11.62	1	7	0	82	339.808	7	↓ MOL2 SDF SMILES Flexibase

52895157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-ethylphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.55	6.85	-10.79	1	6	0	73	303.391	7	↓ MOL2 SDF SMILES Flexibase

52895164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.65	4.97	-12.46	1	7	0	82	359.333	8	↓ MOL2 SDF SMILES Flexibase

52895165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-chloro-2-methyl-phenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.71	6.46	-10.75	1	6	0	73	323.809	6	↓ MOL2 SDF SMILES Flexibase

52895211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.97	6.34	-10.19	1	6	0	73	344.227	6	↓ MOL2 SDF SMILES Flexibase

52895232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.07	5.54	-10.82	1	7	0	82	319.39	8	↓ MOL2 SDF SMILES Flexibase

52895234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-chloro-4-methoxy-phenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.35	5.03	-12.47	1	7	0	82	339.808	7	↓ MOL2 SDF SMILES Flexibase

52895321

Analogs

8021396

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-allyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide 2-(1-allyltetrazol-5-yl)sulfanyl…

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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)	2.51	6.53	-11.42	1	6	0	73	303.391	6	↓ MOL2 SDF SMILES Flexibase

52895546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-allylsulfanylphenyl)-2-(1-allyltetrazol-5-yl)sulfanyl-acetamide N-(2-allylsulfanylphenyl)-2-(1-a…

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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)	2.71	7.76	-10.5	1	6	0	73	347.469	9	↓ MOL2 SDF SMILES Flexibase

52895610

Analogs

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Popular Name: 3-[[2-(1-allyltetrazol-5-yl)sulfanylacetyl]amino]-N-ethyl-benzamide 3-[[2-(1-allyltetrazol-5-yl)sulf…

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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)	1.23	4.3	-20.79	2	8	0	102	346.416	8	↓ MOL2 SDF SMILES Flexibase

52895820

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3-fluorophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.19	5.95	-12.88	1	6	0	73	307.354	6	↓ MOL2 SDF SMILES Flexibase

52895873

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	1.69	5.09	-13.69	1	8	0	91	349.416	8	↓ MOL2 SDF SMILES Flexibase

52895874

Analogs

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Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	1.69	5.07	-13.54	1	8	0	91	349.416	8	↓ MOL2 SDF SMILES Flexibase

52896093

Analogs

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Popular Name: (2S)-N-(3-acetylphenyl)-2-(1-allyltetrazol-5-yl)sulfanyl-propanamide (2S)-N-(3-acetylphenyl)-2-(1-all…

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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)	1.92	6.27	-18.4	1	7	0	90	331.401	7	↓ MOL2 SDF SMILES Flexibase

52910530

Analogs

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Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.87	7.2	-10.53	1	6	0	73	317.418	6	↓ MOL2 SDF SMILES Flexibase

52910531

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.87	7.21	-10.66	1	6	0	73	317.418	6	↓ MOL2 SDF SMILES Flexibase

52910592

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(5-chloro-2-fluoro-phenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.82	6.5	-9.58	1	6	0	73	341.799	6	↓ MOL2 SDF SMILES Flexibase

52910593

Analogs

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Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(5-chloro-2-fluoro-phenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.82	6.5	-9.62	1	6	0	73	341.799	6	↓ MOL2 SDF SMILES Flexibase

52910671

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.58	6.28	-10.08	1	6	0	73	379.314	6	↓ MOL2 SDF SMILES Flexibase

52910672

Analogs

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Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	2.58	6.28	-9.99	1	6	0	73	379.314	6	↓ MOL2 SDF SMILES Flexibase

52910979

Analogs

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Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylphenyl)-3-methyl-butanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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)	3.60	8.82	-12.96	1	6	0	73	345.472	7	↓ MOL2 SDF SMILES Flexibase

52910980

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,3-dimethylphenyl)-3-methyl-butanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	3.60	8.81	-14.2	1	6	0	73	345.472	7	↓ MOL2 SDF SMILES Flexibase

52911046

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)-3-methyl-butanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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	8.59	-11.82	1	6	0	73	386.308	7	↓ MOL2 SDF SMILES Flexibase

52911047

Analogs

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Popular Name: (2R)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)-3-methyl-butanamide (2R)-2-(1-allyltetrazol-5-yl)sul…

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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	8.54	-11.52	1	6	0	73	386.308	7	↓ MOL2 SDF SMILES Flexibase

52911053

Analogs

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Popular Name: (2S)-2-(1-allyltetrazol-5-yl)sulfanyl-N-(2-chlorophenyl)-3-methyl-butanamide (2S)-2-(1-allyltetrazol-5-yl)sul…

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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)	3.42	8.01	-8.28	1	6	0	73	351.863	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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