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ZINC Item

Suppliers, Protomers, & Similar Substances

42014013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 4-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.14	1.75	-13.54	2	7	0	88	261.285	3	↓ MOL2 SDF SMILES Flexibase

42014014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 4-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.14	2.06	-12.47	2	7	0	88	261.285	3	↓ MOL2 SDF SMILES Flexibase

42014173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 3-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.12	1.75	-12.89	2	7	0	88	261.285	3	↓ MOL2 SDF SMILES Flexibase

42014174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 3-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.12	2.06	-12.01	2	7	0	88	261.285	3	↓ MOL2 SDF SMILES Flexibase

42014335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.50	2	-11.58	2	7	0	88	261.285	3	↓ MOL2 SDF SMILES Flexibase

42014336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.50	2.01	-10.53	2	7	0	88	261.285	3	↓ MOL2 SDF SMILES Flexibase

42029370

Analogs

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Popular Name: 2-chloro-5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2-chloro-5-[1-[[(2R)-1,4-dioxan-…

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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	2.35	-11.61	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2-chloro-5-[1-[[(2S)-1,4-dioxan-…

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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	2.66	-10.5	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 4-chloro-3-[1-[[(2R)-1,4-dioxan-…

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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)	0.75	2.31	-14.89	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 4-chloro-3-[1-[[(2S)-1,4-dioxan-…

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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)	0.75	2.3	-13.66	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 5-chloro-2-[1-[[(2R)-1,4-dioxan-…

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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	2.52	-10.66	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 5-chloro-2-[1-[[(2S)-1,4-dioxan-…

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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	2.53	-9.6	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 3-chloro-4-[1-[[(2R)-1,4-dioxan-…

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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)	0.75	2.31	-15.55	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 3-chloro-4-[1-[[(2S)-1,4-dioxan-…

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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)	0.75	2.3	-14.24	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methyl-aniline 4-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.92	2.52	-13.59	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methyl-aniline 4-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.92	2.83	-12.57	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 4-chloro-2-[1-[[(2R)-1,4-dioxan-…

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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	2.52	-10.12	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 4-chloro-2-[1-[[(2S)-1,4-dioxan-…

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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	2.53	-9.31	2	7	0	88	295.73	3	↓ MOL2 SDF SMILES Flexibase

42029417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methoxy-aniline 5-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.53	1.18	-13.21	2	8	0	97	291.311	4	↓ MOL2 SDF SMILES Flexibase

42029421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methoxy-aniline 5-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.53	1.49	-12.27	2	8	0	97	291.311	4	↓ MOL2 SDF SMILES Flexibase

42029426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methyl-aniline 3-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.90	2.44	-12.69	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methyl-aniline 3-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.90	2.44	-11.59	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029434

Analogs

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Popular Name: 2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-6-methyl-aniline 2-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.90	2.76	-11.36	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-6-methyl-aniline 2-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.90	2.76	-10.34	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029442

Analogs

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Popular Name: 5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methyl-aniline 5-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.92	2.52	-12.82	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029445

Analogs

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Popular Name: 5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methyl-aniline 5-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.92	2.83	-11.84	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029449

Analogs

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Popular Name: 2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-3-methyl-aniline 2-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.90	2.56	-11.6	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029453

Analogs

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Popular Name: 2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-3-methyl-aniline 2-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.90	2.57	-10.94	2	7	0	88	275.312	3	↓ MOL2 SDF SMILES Flexibase

42029457

Analogs

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Popular Name: 5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-fluoro-aniline 5-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.64	1.84	-12.08	2	7	0	88	279.275	3	↓ MOL2 SDF SMILES Flexibase

42029461

Analogs

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Popular Name: 5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-fluoro-aniline 5-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.64	2.15	-10.85	2	7	0	88	279.275	3	↓ MOL2 SDF SMILES Flexibase

42029465

Analogs

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Popular Name: 3-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-fluoro-aniline 3-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.23	1.88	-16.41	2	7	0	88	279.275	3	↓ MOL2 SDF SMILES Flexibase

42029469

Analogs

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Popular Name: 3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-fluoro-aniline 3-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.23	1.87	-15.31	2	7	0	88	279.275	3	↓ MOL2 SDF SMILES Flexibase

42029473

Analogs

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Popular Name: 5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-3-fluoro-2-methyl-aniline 5-[1-[[(2R)-1,4-dioxan-2-yl]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)	1.01	2.56	-10.89	2	7	0	88	293.302	3	↓ MOL2 SDF SMILES Flexibase

42029477

Analogs

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Popular Name: 5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-3-fluoro-2-methyl-aniline 5-[1-[[(2S)-1,4-dioxan-2-yl]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)	1.01	2.88	-10.13	2	7	0	88	293.302	3	↓ MOL2 SDF SMILES Flexibase

42029481

Analogs

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Popular Name: 2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-fluoro-aniline 2-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.64	2.07	-10.5	2	7	0	88	279.275	3	↓ MOL2 SDF SMILES Flexibase

42029484

Analogs

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Popular Name: 2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-fluoro-aniline 2-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.64	2.07	-9.76	2	7	0	88	279.275	3	↓ MOL2 SDF SMILES Flexibase

42029487

Analogs

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Popular Name: 2-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-methoxy-aniline 2-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.53	1.32	-11.19	2	8	0	97	291.311	4	↓ MOL2 SDF SMILES Flexibase

42029491

Analogs

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Popular Name: 2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-methoxy-aniline 2-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.53	1.32	-10.57	2	8	0	97	291.311	4	↓ MOL2 SDF SMILES Flexibase

42029494

Analogs

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Popular Name: 2-bromo-5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2-bromo-5-[1-[[(2R)-1,4-dioxan-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)	1.28	2.46	-11.56	2	7	0	88	340.181	3	↓ MOL2 SDF SMILES Flexibase

42029498

Analogs

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Popular Name: 2-bromo-5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2-bromo-5-[1-[[(2S)-1,4-dioxan-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)	1.28	2.78	-10.61	2	7	0	88	340.181	3	↓ MOL2 SDF SMILES Flexibase

42029502

Analogs

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Popular Name: 3-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-methoxy-aniline 3-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.12	1.18	-15.83	2	8	0	97	291.311	4	↓ MOL2 SDF SMILES Flexibase

42029506

Analogs

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Popular Name: 3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-4-methoxy-aniline 3-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.12	1.19	-14.83	2	8	0	97	291.311	4	↓ MOL2 SDF SMILES Flexibase

42029509

Analogs

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Popular Name: 4-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]benzene-1,3-diamine 4-[1-[[(2R)-1,4-dioxan-2-yl]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)	-0.45	-0.15	-12.37	4	8	0	114	276.3	3	↓ MOL2 SDF SMILES Flexibase

42029513

Analogs

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Popular Name: 4-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]benzene-1,3-diamine 4-[1-[[(2S)-1,4-dioxan-2-yl]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)	-0.45	-0.15	-11.28	4	8	0	114	276.3	3	↓ MOL2 SDF SMILES Flexibase

42029517

Analogs

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Popular Name: 5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]benzene-1,3-diamine 5-[1-[[(2R)-1,4-dioxan-2-yl]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)	-0.86	-0.37	-13.2	4	8	0	114	276.3	3	↓ MOL2 SDF SMILES Flexibase

42029521

Analogs

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Popular Name: 5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]benzene-1,3-diamine 5-[1-[[(2S)-1,4-dioxan-2-yl]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)	-0.86	-0.06	-12.54	4	8	0	114	276.3	3	↓ MOL2 SDF SMILES Flexibase

42029525

Analogs

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Popular Name: 2,3-dichloro-5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2,3-dichloro-5-[1-[[(2R)-1,4-dio…

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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)	1.76	2.79	-12.31	2	7	0	88	330.175	3	↓ MOL2 SDF SMILES Flexibase

42029529

Analogs

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Popular Name: 2,3-dichloro-5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]aniline 2,3-dichloro-5-[1-[[(2S)-1,4-dio…

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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)	1.76	3.11	-11.31	2	7	0	88	330.175	3	↓ MOL2 SDF SMILES Flexibase

42029533

Analogs

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Popular Name: 5-[1-[[(2R)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2,4-difluoro-aniline 5-[1-[[(2R)-1,4-dioxan-2-yl]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)	0.73	1.97	-15	2	7	0	88	297.265	3	↓ MOL2 SDF SMILES Flexibase

42029537

Analogs

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Popular Name: 5-[1-[[(2S)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2,4-difluoro-aniline 5-[1-[[(2S)-1,4-dioxan-2-yl]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)	0.73	1.96	-13.77	2	7	0	88	297.265	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 604366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
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