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ZINC Item

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61699939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(1-methyltetr…

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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)	2.49	5.7	-50.12	2	5	1	60	284.796	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	4.53	-8.86	1	5	0	56	283.788	4	↓ MOL2 SDF SMILES Flexibase

61699940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(1-methyltetr…

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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)	2.49	5.71	-51.63	2	5	1	60	284.796	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.49	4.54	-9.54	1	5	0	56	283.788	4	↓ MOL2 SDF SMILES Flexibase

61699941

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(1-methyltetr…

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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	6.56	-48.76	2	5	1	60	298.823	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	5.46	-9.88	1	5	0	56	297.815	5	↓ MOL2 SDF SMILES Flexibase

61699942

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(1-methyltetr…

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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	6.54	-50.21	2	5	1	60	298.823	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	5.44	-8.86	1	5	0	56	297.815	5	↓ MOL2 SDF SMILES Flexibase

61699943

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(1-methylt…

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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)	3.37	7.32	-49.66	2	5	1	60	312.85	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.37	6.22	-9.87	1	5	0	56	311.842	6	↓ MOL2 SDF SMILES Flexibase

61699944

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(1-methylt…

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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)	3.37	7.31	-51.13	2	5	1	60	312.85	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.37	6.2	-8.82	1	5	0	56	311.842	6	↓ MOL2 SDF SMILES Flexibase

61699945

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethanamine (1S)-1-[3-chloro-4-(1-methyltetr…

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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)	0.24	3.94	-55.75	3	5	1	71	270.769	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.24	3.61	-10.5	2	5	0	70	269.761	3	↓ MOL2 SDF SMILES Flexibase

61699946

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethanamine (1R)-1-[3-chloro-4-(1-methyltetr…

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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)	0.24	3.93	-57.48	3	5	1	71	270.769	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.24	3.64	-9.29	2	5	0	70	269.761	3	↓ MOL2 SDF SMILES Flexibase

61699947

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(1-methyltetra…

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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)	2.62	5.78	-51.62	2	5	1	60	329.247	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	4.6	-8.95	1	5	0	56	328.239	4	↓ MOL2 SDF SMILES Flexibase

61699948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(1-methyltetra…

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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)	2.62	5.77	-50.04	2	5	1	60	329.247	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.62	4.6	-9.85	1	5	0	56	328.239	4	↓ MOL2 SDF SMILES Flexibase

61699949

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(1-methyltetra…

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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)	3.00	6.61	-50.17	2	5	1	60	343.274	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.00	5.53	-9.1	1	5	0	56	342.266	5	↓ MOL2 SDF SMILES Flexibase

61699950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(1-methyltetra…

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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)	3.00	6.62	-48.73	2	5	1	60	343.274	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.00	5.51	-8.52	1	5	0	56	342.266	5	↓ MOL2 SDF SMILES Flexibase

61699951

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(1-methylte…

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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)	3.50	7.38	-51.14	2	5	1	60	357.301	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	6.28	-9.08	1	5	0	56	356.293	6	↓ MOL2 SDF SMILES Flexibase

61699952

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(1-methylte…

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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)	3.50	7.38	-49.64	2	5	1	60	357.301	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.50	6.26	-8.47	1	5	0	56	356.293	6	↓ MOL2 SDF SMILES Flexibase

61699953

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethanamine (1S)-1-[3-bromo-4-(1-methyltetra…

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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)	0.37	4.01	-57.52	3	5	1	71	315.22	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.37	3.68	-9.81	2	5	0	70	314.212	3	↓ MOL2 SDF SMILES Flexibase

61699954

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]ethanamine (1R)-1-[3-bromo-4-(1-methyltetra…

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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)	0.37	4	-55.71	3	5	1	71	315.22	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.37	3.7	-8.94	2	5	0	70	314.212	3	↓ MOL2 SDF SMILES Flexibase

61702050

Analogs

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Popular Name: 2-methyl-5-(1-methyltetrazol-5-yl)sulfanyl-aniline 2-methyl-5-(1-methyltetrazol-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)	1.63	3.37	-10.05	2	5	0	70	221.289	2	↓ MOL2 SDF SMILES Flexibase

52841823

Analogs

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Popular Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-aniline 2-(1-methyltetrazol-5-yl)sulfany…

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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)	1.14	3.38	-12.96	2	8	0	115	252.259	3	↓ MOL2 SDF SMILES Flexibase

52858655

Analogs

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Popular Name: [5-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-phenyl]methanamine [5-chloro-2-(1-methyltetrazol-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)	1.56	2.88	-51.62	3	5	1	71	256.742	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.56	2.49	-9.55	2	5	0	70	255.734	3	↓ MOL2 SDF SMILES Flexibase

52859909

Analogs

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Popular Name: 5-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-benzonitrile 5-chloro-2-(1-methyltetrazol-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)	2.13	5.52	-12.31	0	5	0	67	251.702	2	↓ MOL2 SDF SMILES Flexibase

52860406

Analogs

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Popular Name: 5-chloro-2-(1-methyltetrazol-5-yl)sulfanyl-benzamidine 5-chloro-2-(1-methyltetrazol-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)	0.76	2.7	-37.2	4	6	1	95	269.741	3	↓ MOL2 SDF SMILES Flexibase

52860882

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-(1-methyltetrazol-5-yl)sulfanyl-benzamidine 5-chloro-N'-hydroxy-2-(1-methylt…

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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)	0.69	2.16	-12.58	3	7	0	102	284.732	3	↓ MOL2 SDF SMILES Flexibase

52905279

Analogs

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Popular Name: [2-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-phenyl]methanamine [2-chloro-6-(1-methyltetrazol-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)	1.54	2.78	-46.3	3	5	1	71	256.742	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.54	2.38	-10.63	2	5	0	70	255.734	3	↓ MOL2 SDF SMILES Flexibase

52907791

Analogs

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Popular Name: 2-chloro-6-(1-methyltetrazol-5-yl)sulfanyl-benzamidine 2-chloro-6-(1-methyltetrazol-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)	0.74	2.36	-34.35	4	6	1	95	269.741	3	↓ MOL2 SDF SMILES Flexibase

52907793

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-(1-methyltetrazol-5-yl)sulfanyl-benzamidine 2-chloro-N'-hydroxy-6-(1-methylt…

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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	1.28	-14.53	3	7	0	102	284.732	3	↓ MOL2 SDF SMILES Flexibase

13272474

Analogs

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Popular Name: 5-(dimethylsulfamoyl)-2-(1-isobutyltetrazol-5-yl)sulfanyl-benzoic 5-(dimethylsulfamoyl)-2-(1-isobu…

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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)	1.71	4.28	-58.05	0	9	-1	121	384.463	7	↓ MOL2 SDF SMILES Flexibase

13273051

Analogs

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Popular Name: 5-(diethylsulfamoyl)-2-(1-methyltetrazol-5-yl)sulfanyl-benzoic 5-(diethylsulfamoyl)-2-(1-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)	1.34	3.65	-60.82	0	9	-1	121	370.436	7	↓ MOL2 SDF SMILES Flexibase

13273053

Analogs

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Popular Name: (2S)-2-[[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-(1-methyltetrazol-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)	-1.03	4.02	-51.81	1	11	-1	159	351.324	6	↓ MOL2 SDF SMILES Flexibase

13273055

Analogs

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Popular Name: (E)-3-[4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]prop-2-enoic (E)-3-[4-(1-methyltetrazol-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)	1.63	5.8	-55.14	0	9	-1	130	306.283	5	↓ MOL2 SDF SMILES Flexibase

13273058

Analogs

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Popular Name: 5-(methylsulfamoyl)-2-(1-methyltetrazol-5-yl)sulfanyl-benzoic 5-(methylsulfamoyl)-2-(1-methylt…

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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)	0.34	0.1	-60.99	1	9	-1	130	328.355	5	↓ MOL2 SDF SMILES Flexibase

13273531

Analogs

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Popular Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-(diethylsulfamoyl)benzoic 2-(1-tert-butyltetrazol-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)	2.52	5.31	-63.38	0	9	-1	121	412.517	8	↓ MOL2 SDF SMILES Flexibase

13273534

Analogs

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Popular Name: 5-(1-tert-butyltetrazol-5-yl)sulfanyl-2-nitro-benzoic 5-(1-tert-butyltetrazol-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)	2.93	7.12	-61.72	0	9	-1	130	322.326	5	↓ MOL2 SDF SMILES Flexibase

13273536

Analogs

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Popular Name: 2-[[4-(1-tert-butyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]acetic 2-[[4-(1-tert-butyltetrazol-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)	0.37	4.82	-51.87	1	11	-1	159	379.378	7	↓ MOL2 SDF SMILES Flexibase

13273537

Analogs

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Popular Name: (2S)-2-[[4-(1-tert-butyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-(1-tert-butyltetrazol…

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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	5.69	-53.05	1	11	-1	159	393.405	7	↓ MOL2 SDF SMILES Flexibase

13273539

Analogs

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Popular Name: (E)-3-[4-(1-tert-butyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]prop-2-enoic (E)-3-[4-(1-tert-butyltetrazol-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)	2.81	7.47	-55.49	0	9	-1	130	348.364	6	↓ MOL2 SDF SMILES Flexibase

13273541

Analogs

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Popular Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-sulfamoyl-benzoic 2-(1-tert-butyltetrazol-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)	1.15	0.56	-63.07	2	9	-1	144	356.409	5	↓ MOL2 SDF SMILES Flexibase

13273543

Analogs

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Popular Name: 4-(1-tert-butyltetrazol-5-yl)sulfanyl-3-nitro-benzoic 4-(1-tert-butyltetrazol-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)	2.75	6.22	-52.09	0	9	-1	130	322.326	5	↓ MOL2 SDF SMILES Flexibase

13273544

Analogs

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Popular Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-5-(methylsulfamoyl)benzoic 2-(1-tert-butyltetrazol-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)	1.52	1.77	-63.43	1	9	-1	130	370.436	6	↓ MOL2 SDF SMILES Flexibase

13274874

Analogs

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Popular Name: 5-(diethylsulfamoyl)-2-(1-isopropyltetrazol-5-yl)sulfanyl-benzoic 5-(diethylsulfamoyl)-2-(1-isopro…

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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	5.2	-59.61	0	9	-1	121	398.49	8	↓ MOL2 SDF SMILES Flexibase

13274877

Analogs

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Popular Name: 5-(1-isopropyltetrazol-5-yl)sulfanyl-2-nitro-benzoic 5-(1-isopropyltetrazol-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)	2.49	7	-60.95	0	9	-1	130	308.299	5	↓ MOL2 SDF SMILES Flexibase

13274879

Analogs

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Popular Name: 2-[[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]acetic 2-[[4-(1-isopropyltetrazol-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)	-0.08	4.71	-50.96	1	11	-1	159	365.351	7	↓ MOL2 SDF SMILES Flexibase

13274880

Analogs

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Popular Name: (2S)-2-[[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-(1-isopropyltetrazol-…

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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)	-0.29	6.53	-50.25	1	11	-1	159	379.378	7	↓ MOL2 SDF SMILES Flexibase

13274882

Analogs

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Popular Name: (E)-3-[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]prop-2-enoic (E)-3-[4-(1-isopropyltetrazol-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)	2.37	7.36	-54.53	0	9	-1	130	334.337	6	↓ MOL2 SDF SMILES Flexibase

13274884

Analogs

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Popular Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-5-sulfamoyl-benzoic 2-(1-isopropyltetrazol-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)	0.70	0.45	-59.53	2	9	-1	144	342.382	5	↓ MOL2 SDF SMILES Flexibase

13274886

Analogs

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Popular Name: 4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-benzoic 4-(1-isopropyltetrazol-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)	2.31	6.1	-50.93	0	9	-1	130	308.299	5	↓ MOL2 SDF SMILES Flexibase

13274887

Analogs

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Popular Name: 2-(1-isopropyltetrazol-5-yl)sulfanyl-5-(methylsulfamoyl)benzoic 2-(1-isopropyltetrazol-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)	1.08	1.65	-59.85	1	9	-1	130	356.409	6	↓ MOL2 SDF SMILES Flexibase

13274899

Analogs

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Popular Name: 5-(diethylsulfamoyl)-2-(1-ethyltetrazol-5-yl)sulfanyl-benzoic 5-(diethylsulfamoyl)-2-(1-ethylt…

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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)	1.71	4.52	-58.75	0	9	-1	121	384.463	8	↓ MOL2 SDF SMILES Flexibase

13274902

Analogs

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Popular Name: 5-(1-ethyltetrazol-5-yl)sulfanyl-2-nitro-benzoic 5-(1-ethyltetrazol-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)	2.12	6.33	-61.07	0	9	-1	130	294.272	5	↓ MOL2 SDF SMILES Flexibase

13274904

Analogs

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Popular Name: 2-[[4-(1-ethyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]acetic 2-[[4-(1-ethyltetrazol-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)	-0.44	4.04	-51.39	1	11	-1	159	351.324	7	↓ MOL2 SDF SMILES Flexibase

13274905

Analogs

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Popular Name: (2S)-2-[[4-(1-ethyltetrazol-5-yl)sulfanyl-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-(1-ethyltetrazol-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)	-0.65	4.9	-51.32	1	11	-1	159	365.351	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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