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ZINC Item

Suppliers, Protomers, & Similar Substances

17993457

Analogs

5168430
5168436
6223421

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	3.10	9.43	-10.51	0	6	0	64	345.472	4	↓ MOL2 SDF SMILES Flexibase

22660428

Analogs

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Popular Name: 1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-4-carboxamide 1-[2-[1-(4-chlorophenyl)tetrazol…

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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	4.51	-18.82	2	8	0	107	380.861	5	↓ MOL2 SDF SMILES Flexibase

22660761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-4-carboxamide 1-[2-[1-(p-tolyl)tetrazol-5-yl]s…

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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)	0.82	4.65	-19.99	2	8	0	107	360.443	5	↓ MOL2 SDF SMILES Flexibase

22662015

Analogs

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Popular Name: 1-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-4-carboxamide 1-[2-[1-(2,4-dimethylphenyl)tetr…

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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)	1.40	5.51	-20.08	2	8	0	107	374.47	5	↓ MOL2 SDF SMILES Flexibase

22664370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[1-(m-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-4-carboxamide 1-[2-[1-(m-tolyl)tetrazol-5-yl]s…

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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	4.64	-20.25	2	8	0	107	360.443	5	↓ MOL2 SDF SMILES Flexibase

36636960

Analogs

36636962
3504047
15009487

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-ethyl-1-piperidyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone 1-[(2R)-2-ethyl-1-piperidyl]-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)	2.64	8.57	-10.11	0	6	0	64	331.445	5	↓ MOL2 SDF SMILES Flexibase

36636962

Analogs

36636960
3504047
15009487

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone 1-[(2S)-2-ethyl-1-piperidyl]-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)	2.64	8.59	-9.96	0	6	0	64	331.445	5	↓ MOL2 SDF SMILES Flexibase

36640417

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)	3.36	10.99	-14.23	0	8	0	90	417.535	9	↓ MOL2 SDF SMILES Flexibase

13253732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[1-(o-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(o-tolyl)tetrazol-5…

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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	7.89	-55.56	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13253734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[1-(o-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(o-tolyl)tetrazol-5…

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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	7.88	-55.58	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13253746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[1-(o-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(o-tolyl)tetrazol-5…

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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)	0.16	8.72	-62.7	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13253748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[1-(o-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(o-tolyl)tetrazol-5…

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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)	0.16	8.72	-63.04	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13253824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(2,4-dimethylphenyl…

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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	8.55	-55.1	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13253826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(2,4-dimethylphenyl…

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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	8.53	-55.12	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13253838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(2,4-dimethylphenyl…

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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)	0.58	9.39	-62.33	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13253840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(2,4-dimethylphenyl…

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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)	0.58	9.39	-62.75	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13410982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-(1-phenyltetrazol-5-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)	0.88	7.85	-53.23	0	8	-1	104	346.392	5	↓ MOL2 SDF SMILES Flexibase

13410985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-(1-phenyltetrazol-5-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)	0.88	7.9	-53.8	0	8	-1	104	346.392	5	↓ MOL2 SDF SMILES Flexibase

13411000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-(1-phenyltetrazol-5-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)	-0.45	8.97	-60.81	0	8	-1	104	346.392	5	↓ MOL2 SDF SMILES Flexibase

13411002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-(1-phenyltetrazol-5-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)	-0.45	9.05	-61.04	0	8	-1	104	346.392	5	↓ MOL2 SDF SMILES Flexibase

13413232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(2-methoxy-5-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)	1.74	7.14	-58.07	0	9	-1	113	390.445	6	↓ MOL2 SDF SMILES Flexibase

13413235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(2-methoxy-5-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)	1.74	7.15	-57.97	0	9	-1	113	390.445	6	↓ MOL2 SDF SMILES Flexibase

13413253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(2-methoxy-5-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)	0.40	7.99	-65.33	0	9	-1	113	390.445	6	↓ MOL2 SDF SMILES Flexibase

13413256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(2-methoxy-5-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)	0.40	8	-65.26	0	9	-1	113	390.445	6	↓ MOL2 SDF SMILES Flexibase

13413581

Analogs

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Popular Name: (3R)-1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(4-chlorophenyl)tet…

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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	7.49	-53.41	0	8	-1	104	380.837	5	↓ MOL2 SDF SMILES Flexibase

13413585

Analogs

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Popular Name: (3S)-1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(4-chlorophenyl)tet…

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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	7.51	-53.5	0	8	-1	104	380.837	5	↓ MOL2 SDF SMILES Flexibase

13413603

Analogs

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Popular Name: (2S)-1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(4-chlorophenyl)tet…

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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)	0.22	8.45	-60.78	0	8	-1	104	380.837	5	↓ MOL2 SDF SMILES Flexibase

13413606

Analogs

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Popular Name: (2R)-1-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(4-chlorophenyl)tet…

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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)	0.22	8.53	-61.03	0	8	-1	104	380.837	5	↓ MOL2 SDF SMILES Flexibase

13413618

Analogs

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Popular Name: (3R)-1-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(4-butylphenyl)tetr…

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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)	2.75	9.97	-54.41	0	8	-1	104	402.5	8	↓ MOL2 SDF SMILES Flexibase

13413622

Analogs

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Popular Name: (3S)-1-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(4-butylphenyl)tetr…

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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)	2.75	9.99	-54.39	0	8	-1	104	402.5	8	↓ MOL2 SDF SMILES Flexibase

13413629

Analogs

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Popular Name: 1-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-4-carboxylic 1-[2-[1-(4-butylphenyl)tetrazol-…

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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)	2.75	9.98	-52.22	0	8	-1	104	402.5	8	↓ MOL2 SDF SMILES Flexibase

13413650

Analogs

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Popular Name: (2R)-1-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(4-butylphenyl)tetr…

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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	11.01	-62.47	0	8	-1	104	402.5	8	↓ MOL2 SDF SMILES Flexibase

13413653

Analogs

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Popular Name: (2S)-1-[2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(4-butylphenyl)tetr…

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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	10.94	-62.18	0	8	-1	104	402.5	8	↓ MOL2 SDF SMILES Flexibase

13414416

Analogs

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Popular Name: (3R)-1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(2-ethoxyphenyl)tet…

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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)	1.48	7.42	-58.4	0	9	-1	113	390.445	7	↓ MOL2 SDF SMILES Flexibase

13414419

Analogs

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Popular Name: (3S)-1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(2-ethoxyphenyl)tet…

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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)	1.48	7.41	-58.34	0	9	-1	113	390.445	7	↓ MOL2 SDF SMILES Flexibase

13414437

Analogs

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Popular Name: (2R)-1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(2-ethoxyphenyl)tet…

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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	8.26	-65.43	0	9	-1	113	390.445	7	↓ MOL2 SDF SMILES Flexibase

13414440

Analogs

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Popular Name: (2S)-1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(2-ethoxyphenyl)tet…

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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	8.27	-65.41	0	9	-1	113	390.445	7	↓ MOL2 SDF SMILES Flexibase

13414978

Analogs

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Popular Name: (3R)-1-[2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(p-tolyl)tetrazol-5…

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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)	1.33	7.64	-54.9	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13414980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(p-tolyl)tetrazol-5…

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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)	1.33	7.66	-54.86	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13414993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(p-tolyl)tetrazol-5…

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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)	0.00	8.69	-62.97	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13414995

Analogs

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Popular Name: (2S)-1-[2-[1-(p-tolyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(p-tolyl)tetrazol-5…

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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)	0.00	8.61	-62.7	0	8	-1	104	360.419	5	↓ MOL2 SDF SMILES Flexibase

13415318

Analogs

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Popular Name: (3R)-1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(4-methoxyphenyl)te…

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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)	0.94	6.27	-54.65	0	9	-1	113	376.418	6	↓ MOL2 SDF SMILES Flexibase

13415321

Analogs

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Popular Name: (3S)-1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(4-methoxyphenyl)te…

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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)	0.94	6.29	-54.68	0	9	-1	113	376.418	6	↓ MOL2 SDF SMILES Flexibase

13415339

Analogs

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Popular Name: (2R)-1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(4-methoxyphenyl)te…

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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)	-0.40	7.31	-62.35	0	9	-1	113	376.418	6	↓ MOL2 SDF SMILES Flexibase

13415342

Analogs

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Popular Name: (2S)-1-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(4-methoxyphenyl)te…

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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)	-0.40	7.23	-62.15	0	9	-1	113	376.418	6	↓ MOL2 SDF SMILES Flexibase

13417119

Analogs

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Popular Name: (3R)-1-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3R)-1-[2-[1-(2,5-dimethylphenyl…

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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)	2.13	8.55	-55.31	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13417122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-3-carboxylic (3S)-1-[2-[1-(2,5-dimethylphenyl…

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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)	2.13	8.55	-55.33	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13417134

Analogs

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Popular Name: (2R)-1-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2R)-1-[2-[1-(2,5-dimethylphenyl…

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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)	0.79	9.38	-62.7	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

13417136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]piperidine-2-carboxylic (2S)-1-[2-[1-(2,5-dimethylphenyl…

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Activity (Go SEA)

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)	0.79	9.41	-63.05	0	8	-1	104	374.446	5	↓ MOL2 SDF SMILES Flexibase

61422347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-1-(1-piperidyl)ethanone 2-[1-(4-butylphenyl)tetrazol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	10.37	-9.9	0	6	0	64	359.499	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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