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ZINC Item

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19433840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]benzoic 2-[methyl-[2-(tetrazol-1-yl)acet…

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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)	0.41	5.69	-64.4	0	8	-1	104	260.233	4	↓ MOL2 SDF SMILES Flexibase

19434675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 5-methyl-2-[[2-(tetrazol-1-yl)ac…

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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)	0.59	4.29	-53.01	1	8	-1	113	260.233	4	↓ MOL2 SDF SMILES Flexibase

58004101

Analogs

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Popular Name: N-ethyl-3-[[2-(5-ethyltetrazol-1-yl)acetyl]amino]benzamide N-ethyl-3-[[2-(5-ethyltetrazol-1…

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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)	0.33	3.34	-32.4	2	8	0	102	302.338	6	↓ MOL2 SDF SMILES Flexibase

60220903

Analogs

60220907

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-4,4-dimethyl-3-oxo-N-phenyl-2-(tetrazol-1-yl)pentanamide (2R)-2-chloro-4,4-dimethyl-3-oxo…

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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)	1.64	7.03	-16.17	1	7	0	90	321.768	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.83	4.26	-47.16	0	7	-1	96	320.76	5	↓ MOL2 SDF SMILES Flexibase

60220907

Analogs

60220903

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-4,4-dimethyl-3-oxo-N-phenyl-2-(tetrazol-1-yl)pentanamide (2S)-2-chloro-4,4-dimethyl-3-oxo…

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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)	1.64	7.32	-13.99	1	7	0	90	321.768	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.83	4.59	-42.6	0	7	-1	96	320.76	5	↓ MOL2 SDF SMILES Flexibase

62823566

Analogs

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Popular Name: 5-nitro-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 5-nitro-2-[[2-(tetrazol-1-yl)ace…

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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)	0.10	5.31	-46.3	1	11	-1	159	291.203	5	↓ MOL2 SDF SMILES Flexibase

62823795

Analogs

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Popular Name: 4-nitro-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 4-nitro-2-[[2-(tetrazol-1-yl)ace…

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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)	0.10	5.35	-45.57	1	11	-1	159	291.203	5	↓ MOL2 SDF SMILES Flexibase

62824010

Analogs

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Popular Name: 5-iodo-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 5-iodo-2-[[2-(tetrazol-1-yl)acet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	5.7	-47.22	1	8	-1	113	372.102	4	↓ MOL2 SDF SMILES Flexibase

62825056

Analogs

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Popular Name: 3,5-dibromo-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 3,5-dibromo-2-[[2-(tetrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	5.94	-48.66	1	8	-1	113	403.998	4	↓ MOL2 SDF SMILES Flexibase

62826351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 3-bromo-2-[[2-(tetrazol-1-yl)ace…

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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)	0.93	5.34	-51.93	1	8	-1	113	325.102	4	↓ MOL2 SDF SMILES Flexibase

62839173

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-2-(tetrazol-1-yl)acetamide N-[3-(2-aminoethoxy)phenyl]-2-(t…

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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	1.43	-66.36	4	8	1	110	263.281	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.04	1	-24.04	3	8	0	108	262.273	6	↓ MOL2 SDF SMILES Flexibase

63008886

Analogs

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Popular Name: 3-fluoro-4-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 3-fluoro-4-[[2-(tetrazol-1-yl)ac…

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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	4.41	-63.59	1	8	-1	113	264.196	4	↓ MOL2 SDF SMILES Flexibase

69563446

Analogs

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Popular Name: N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide N-[3-chloro-2-(difluoromethylsul…

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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)	1.70	5.8	-21.98	1	6	0	73	319.724	5	↓ MOL2 SDF SMILES Flexibase

55154138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(5-aminotetrazol-1-yl)acetyl]amino]-4-chloro-N,N-diethyl-benzamide 3-[[2-(5-aminotetrazol-1-yl)acet…

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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)	0.25	5.67	-26.67	3	9	0	119	351.798	6	↓ MOL2 SDF SMILES Flexibase

55594715

Analogs

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Popular Name: N-(5-chloro-2-propoxy-phenyl)-2-(tetrazol-1-yl)acetamide N-(5-chloro-2-propoxy-phenyl)-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)	1.66	5.41	-22.26	1	7	0	82	295.73	6	↓ MOL2 SDF SMILES Flexibase

55619312

Analogs

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Popular Name: N-(4-methyl-2-propoxy-phenyl)-2-(tetrazol-1-yl)acetamide N-(4-methyl-2-propoxy-phenyl)-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)	1.43	5.57	-21.1	1	7	0	82	275.312	6	↓ MOL2 SDF SMILES Flexibase

69807630

Analogs

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Popular Name: 2-(5-tert-butyltetrazol-1-yl)-N-(cyanomethyl)-N-phenyl-acetamide 2-(5-tert-butyltetrazol-1-yl)-N-…

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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	7.02	-22.17	0	7	0	88	298.35	5	↓ MOL2 SDF SMILES Flexibase

67170958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-ethyl-2-[[2-(tetrazol-1-yl)acetyl]amino]benzamide 5-chloro-N-ethyl-2-[[2-(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)	0.30	3.84	-19.62	2	8	0	102	308.729	5	↓ MOL2 SDF SMILES Flexibase

40554251

Analogs

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Popular Name: 2-(5-tert-butyltetrazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide 2-(5-tert-butyltetrazol-1-yl)-N-…

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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)	2.20	6.98	-18.72	1	6	0	73	301.394	4	↓ MOL2 SDF SMILES Flexibase

40769658

Analogs

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Popular Name: N-(4-amino-3-methoxy-phenyl)-2-(tetrazol-1-yl)acetamide N-(4-amino-3-methoxy-phenyl)-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)	-0.41	1.04	-24.41	3	8	0	108	248.246	4	↓ MOL2 SDF SMILES Flexibase

49229133

Analogs

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Popular Name: N-(4-isopropoxyphenyl)-2-(tetrazol-1-yl)acetamide N-(4-isopropoxyphenyl)-2-(tetraz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	4.59	-25.25	1	7	0	82	261.285	5	↓ MOL2 SDF SMILES Flexibase

49361801

Analogs

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Popular Name: N-[2-(hydroxymethyl)phenyl]-2-(tetrazol-1-yl)acetamide N-[2-(hydroxymethyl)phenyl]-2-(t…

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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)	-0.59	1.36	-25.51	2	7	0	93	233.231	4	↓ MOL2 SDF SMILES Flexibase

41637012

Analogs

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Popular Name: N-(3-ethynylphenyl)-2-(tetrazol-1-yl)acetamide N-(3-ethynylphenyl)-2-(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)	-0.14	4.92	-27.53	1	6	0	73	227.227	3	↓ MOL2 SDF SMILES Flexibase

37334896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic 3,5-dichloro-2-[[2-(tetrazol-1-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)	1.43	5.72	-48.83	1	8	-1	113	315.096	4	↓ MOL2 SDF SMILES Flexibase

49422848

Analogs

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Popular Name: 2-(5-tert-butyltetrazol-1-yl)-N-(4-iodophenyl)acetamide 2-(5-tert-butyltetrazol-1-yl)-N-…

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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)	3.02	5.83	-19.43	1	6	0	73	385.209	4	↓ MOL2 SDF SMILES Flexibase

49422849

Analogs

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Popular Name: 2-(5-tert-butyltetrazol-1-yl)-N-(4-fluorophenyl)acetamide 2-(5-tert-butyltetrazol-1-yl)-N-…

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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)	2.10	4.8	-20.47	1	6	0	73	277.303	4	↓ MOL2 SDF SMILES Flexibase

49422919

Analogs

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Popular Name: N-(2-acetylphenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2-acetylphenyl)-2-(5-ethyltet…

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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)	0.63	5.09	-17.83	1	7	0	90	273.296	5	↓ MOL2 SDF SMILES Flexibase

49422924

Analogs

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Popular Name: N-(3-chloro-4-cyano-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3-chloro-4-cyano-phenyl)-2-(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)	1.14	5.03	-22.69	1	7	0	97	290.714	4	↓ MOL2 SDF SMILES Flexibase

49422942

Analogs

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Popular Name: 2-(5-ethyltetrazol-1-yl)-N-(2-iodophenyl)acetamide 2-(5-ethyltetrazol-1-yl)-N-(2-io…

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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)	1.82	5.46	-15.92	1	6	0	73	357.155	4	↓ MOL2 SDF SMILES Flexibase

49422971

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(5-chloro-2-fluoro-phenyl)-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)	1.55	4.84	-18.17	1	6	0	73	283.694	4	↓ MOL2 SDF SMILES Flexibase

49422973

Analogs

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Popular Name: N-(2-bromophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2-bromophenyl)-2-(5-ethyltetr…

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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	4.98	-16.45	1	6	0	73	310.155	4	↓ MOL2 SDF SMILES Flexibase

49422983

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2,6-dichlorophenyl)-2-(5-ethy…

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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)	2.04	5.6	-18.12	1	6	0	73	300.149	4	↓ MOL2 SDF SMILES Flexibase

49422984

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2-bromo-4-methyl-phenyl)-2-(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)	1.97	5.65	-16.32	1	6	0	73	324.182	4	↓ MOL2 SDF SMILES Flexibase

49422991

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3-chloro-4-fluoro-phenyl)-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)	1.55	4.78	-23.96	1	6	0	73	283.694	4	↓ MOL2 SDF SMILES Flexibase

49422992

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3-chloro-2-methyl-phenyl)-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)	1.81	5.49	-18.6	1	6	0	73	279.731	4	↓ MOL2 SDF SMILES Flexibase

49422993

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2,6-dimethylphenyl)-2-(5-ethy…

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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	5.81	-18.95	1	6	0	73	259.313	4	↓ MOL2 SDF SMILES Flexibase

49422995

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3,4-difluorophenyl)-2-(5-ethy…

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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	4.33	-25.55	1	6	0	73	267.239	4	↓ MOL2 SDF SMILES Flexibase

49422997

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2,4-difluorophenyl)-2-(5-ethy…

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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	4.39	-16.73	1	6	0	73	267.239	4	↓ MOL2 SDF SMILES Flexibase

49422998

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2,5-dichlorophenyl)-2-(5-ethy…

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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	5.37	-17.87	1	6	0	73	300.149	4	↓ MOL2 SDF SMILES Flexibase

49422999

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(4-bromo-2-fluoro-phenyl)-2-(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)	1.68	4.94	-16.37	1	6	0	73	328.145	4	↓ MOL2 SDF SMILES Flexibase

49423000

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2-chloro-4-fluoro-phenyl)-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)	1.55	4.91	-16.61	1	6	0	73	283.694	4	↓ MOL2 SDF SMILES Flexibase

49423001

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3-chloro-4-methoxy-phenyl)-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)	1.45	4.06	-24.73	1	7	0	82	295.73	5	↓ MOL2 SDF SMILES Flexibase

49423002

Analogs

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Popular Name: N-(3-cyanophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3-cyanophenyl)-2-(5-ethyltetr…

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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)	0.51	4.61	-26.76	1	7	0	97	256.269	4	↓ MOL2 SDF SMILES Flexibase

49423003

Analogs

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Popular Name: 2-(5-ethyltetrazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide 2-(5-ethyltetrazol-1-yl)-N-(2,4,…

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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)	2.67	6.1	-17.22	1	6	0	73	334.594	4	↓ MOL2 SDF SMILES Flexibase

49423004

Analogs

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Popular Name: 2-(5-ethyltetrazol-1-yl)-N-(4-iodophenyl)acetamide 2-(5-ethyltetrazol-1-yl)-N-(4-io…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	5.32	-20.07	1	6	0	73	357.155	4	↓ MOL2 SDF SMILES Flexibase

49423010

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(3-chlorophenyl)-2-(5-ethyltet…

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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)	1.44	4.73	-22.26	1	6	0	73	265.704	4	↓ MOL2 SDF SMILES Flexibase

49423016

Analogs

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

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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)	1.61	5.56	-19.85	1	6	0	73	259.313	4	↓ MOL2 SDF SMILES Flexibase

49423018

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-(5-ethyltetrazol-1-yl)acetamide N-(2-chloro-4-methyl-phenyl)-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)	1.84	5.51	-16.45	1	6	0	73	279.731	4	↓ MOL2 SDF SMILES Flexibase

49423019

Analogs

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Popular Name: 2-(5-ethyltetrazol-1-yl)-N-phenyl-acetamide 2-(5-ethyltetrazol-1-yl)-N-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.78	4.21	-19.97	1	6	0	73	231.259	4	↓ MOL2 SDF SMILES Flexibase

49423020

Analogs

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Popular Name: 2-(5-ethyltetrazol-1-yl)-N-(4-fluorophenyl)acetamide 2-(5-ethyltetrazol-1-yl)-N-(4-fl…

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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)	0.95	4.28	-21.11	1	6	0	73	249.249	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 46873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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