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ZINC Item

Suppliers, Protomers, & Similar Substances

7148825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[5-(4-bromophenyl)tetrazol-2-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)	2.81	6.23	-15.49	1	7	0	82	402.252	6	↓ MOL2 SDF SMILES Flexibase

7148864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]-N-methyl-acetamide 2-[5-(4-bromophenyl)tetrazol-2-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)	3.00	1.04	-15.14	0	7	0	73	416.279	6	↓ MOL2 SDF SMILES Flexibase

7148898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[5-(3-chlorophenyl)tetrazol-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)	2.62	6.12	-16.82	1	7	0	82	357.801	6	↓ MOL2 SDF SMILES Flexibase

8486560

Analogs

31731910
31731913
5491883

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	0.84	-19.78	1	8	0	99	351.366	7	↓ MOL2 SDF SMILES Flexibase

11531441

Analogs

11531445
5036941
5036942

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.34	1.05	-16.07	1	6	0	73	359.792	5	↓ MOL2 SDF SMILES Flexibase

11531445

Analogs

5036941
5036942
11531441

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.34	1.06	-15.97	1	6	0	73	359.792	5	↓ MOL2 SDF SMILES Flexibase

11531627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methyl-acetamide N-[(2-bromophenyl)methyl]-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)	3.62	0.89	-13.12	0	6	0	64	420.698	5	↓ MOL2 SDF SMILES Flexibase

11531634

Analogs

14227207
5327022

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.00	2.34	-19.96	0	6	0	64	359.792	5	↓ MOL2 SDF SMILES Flexibase

11531637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methyl-N-(o-tolylmethyl)acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.26	2.69	-16.41	0	6	0	64	355.829	5	↓ MOL2 SDF SMILES Flexibase

11531642

Analogs

5087500

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methyl-N-(p-tolylmethyl)acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.31	1.92	-16.35	0	6	0	64	355.829	5	↓ MOL2 SDF SMILES Flexibase

11531645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromophenyl)methyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methyl-acetamide N-[(4-bromophenyl)methyl]-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)	3.67	0.84	-16.27	0	6	0	64	420.698	5	↓ MOL2 SDF SMILES Flexibase

11531662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methyl-acetamide N-[(2-chloro-6-fluoro-phenyl)met…

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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)	3.61	2.06	-16.31	0	6	0	64	394.237	5	↓ MOL2 SDF SMILES Flexibase

11531667

Analogs

5327022
7315927

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.03	2.34	-17	0	6	0	64	359.792	5	↓ MOL2 SDF SMILES Flexibase

11531842

Analogs

11531845
5327018
4549428
4549431

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-acetamide N-[1-(2-chlorophenyl)ethyl]-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)	3.81	0.25	-17.39	1	6	0	73	376.247	5	↓ MOL2 SDF SMILES Flexibase

11531845

Analogs

5327018
4549428
4549431

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(2-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-acetamide N-[1-(2-chlorophenyl)ethyl]-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)	3.81	0.25	-17.17	1	6	0	73	376.247	5	↓ MOL2 SDF SMILES Flexibase

53457935

Analogs

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Popular Name: (2S)-N-[(4-cyanophenyl)methyl]-N,3-dimethyl-2-(5-phenyltetrazol-2-yl)butanamide (2S)-N-[(4-cyanophenyl)methyl]-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)	3.05	10.65	-16.15	0	7	0	88	374.448	6	↓ MOL2 SDF SMILES Flexibase

53457937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4-cyanophenyl)methyl]-N,3-dimethyl-2-(5-phenyltetrazol-2-yl)butanamide (2R)-N-[(4-cyanophenyl)methyl]-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)	3.05	10.65	-14.54	0	7	0	88	374.448	6	↓ MOL2 SDF SMILES Flexibase

22706075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetami N-[[4-(difluoromethoxy)phenyl]me…

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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)	3.67	8.99	-22.57	0	7	0	73	441.36	8	↓ MOL2 SDF SMILES Flexibase

36869854

Analogs

21650483

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide N-[(1S)-1-(4-fluorophenyl)ethyl]…

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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)	2.69	6.52	-19.34	1	7	0	82	355.373	6	↓ MOL2 SDF SMILES Flexibase

36869856

Analogs

21650483

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide N-[(1R)-1-(4-fluorophenyl)ethyl]…

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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)	2.69	6.52	-19.21	1	7	0	82	355.373	6	↓ MOL2 SDF SMILES Flexibase

23942075

Analogs

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Popular Name: (2R)-N-benzyl-N-ethyl-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-benzyl-N-ethyl-2-[5-(p-to…

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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	10.47	-16.88	0	6	0	64	349.438	6	↓ MOL2 SDF SMILES Flexibase

23942077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-N-ethyl-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2S)-N-benzyl-N-ethyl-2-[5-(p-to…

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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	10.32	-17.07	0	6	0	64	349.438	6	↓ MOL2 SDF SMILES Flexibase

62591906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide N-[(1S)-1-(4-fluorophenyl)-2-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.44	9.59	-17	1	6	0	73	479.297	6	↓ MOL2 SDF SMILES Flexibase

62591907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-fluorophenyl)-2-methyl-propyl]-2-[5-(2-iodophenyl)tetrazol-2-yl]acetamide N-[(1R)-1-(4-fluorophenyl)-2-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.44	9.59	-16.89	1	6	0	73	479.297	6	↓ MOL2 SDF SMILES Flexibase

23942213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]propanamide (2R)-2-[5-(4-chlorophenyl)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)	3.54	8.33	-16.33	1	6	0	73	355.829	5	↓ MOL2 SDF SMILES Flexibase

23942214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide (2R)-2-[5-(4-chlorophenyl)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)	3.54	8.32	-16.43	1	6	0	73	355.829	5	↓ MOL2 SDF SMILES Flexibase

23942216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]propanamide (2S)-2-[5-(4-chlorophenyl)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)	3.54	8.33	-16.4	1	6	0	73	355.829	5	↓ MOL2 SDF SMILES Flexibase

23942218

Analogs

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide (2S)-2-[5-(4-chlorophenyl)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)	3.54	8.32	-16.33	1	6	0	73	355.829	5	↓ MOL2 SDF SMILES Flexibase

23942220

Analogs

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Popular Name: (2R)-N-benzyl-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethyl-propanamide (2R)-N-benzyl-2-[5-(4-chlorophen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	10.32	-15.31	0	6	0	64	369.856	6	↓ MOL2 SDF SMILES Flexibase

23942222

Analogs

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Popular Name: (2S)-N-benzyl-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethyl-propanamide (2S)-N-benzyl-2-[5-(4-chlorophen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	10.18	-15.42	0	6	0	64	369.856	6	↓ MOL2 SDF SMILES Flexibase

26147305

Analogs

6074308
12481021

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]propana (2R)-N-tert-butyl-2-[(4-fluoroph…

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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)	3.13	9.36	-21.69	1	8	0	93	456.497	8	↓ MOL2 SDF SMILES Flexibase

26147312

Analogs

6074308
12481021

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]propana (2S)-N-tert-butyl-2-[(4-fluoroph…

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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)	3.13	10.52	-25.85	1	8	0	93	456.497	8	↓ MOL2 SDF SMILES Flexibase

60581080

Analogs

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Popular Name: 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[(1R)-1-phenylbutyl]acetamide 2-[5-(3-methoxyphenyl)tetrazol-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)	2.69	7.83	-17.46	1	7	0	82	365.437	8	↓ MOL2 SDF SMILES Flexibase

1376409

Analogs

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Popular Name: 2-[5-(4-dimethylaminophenyl)tetrazol-2-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[5-(4-dimethylaminophenyl)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)	2.60	0.44	-17.26	1	7	0	75	350.426	6	↓ MOL2 SDF SMILES Flexibase

1376410

Analogs

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Popular Name: 2-[5-(4-dimethylaminophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[5-(4-dimethylaminophenyl)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)	2.60	0.49	-17.09	1	7	0	75	350.426	6	↓ MOL2 SDF SMILES Flexibase

1376413

Analogs

10337813
10337815

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Popular Name: 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylethyl]acetamide 2-[5-(3,4-diethoxyphenyl)tetrazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	0.84	-18.49	1	8	0	91	395.463	9	↓ MOL2 SDF SMILES Flexibase

1376414

Analogs

10337813
10337815

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Popular Name: 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide 2-[5-(3,4-diethoxyphenyl)tetrazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	0.84	-18.38	1	8	0	91	395.463	9	↓ MOL2 SDF SMILES Flexibase

14227207

Analogs

5327022
11531634

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide 2-[5-(4-chlorophenyl)tetrazol-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)	3.38	9.66	-14.42	0	6	0	64	373.819	6	↓ MOL2 SDF SMILES Flexibase

2787577

Analogs

7279588
7315469

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Popular Name: N-(2-fluorobenzyl)-2-(5-phenyltetrazol-2-yl)acetamide N-(2-fluorobenzyl)-2-(5-phenylte…

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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)	2.05	0.4	-17.09	1	6	0	72	311.32	5	↓ MOL2 SDF SMILES Flexibase

4169435

Analogs

4169436
4160566

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Popular Name: 2-[5-(4-propoxyphenyl)tetrazol-2-yl]-N-(p-tolylmethyl)acetamide 2-[5-(4-propoxyphenyl)tetrazol-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)	3.32	0.14	-15.41	1	7	0	81	365.437	8	↓ MOL2 SDF SMILES Flexibase

4169436

Analogs

4549344
4855515
53115212
878281
4169435

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[5-(4-propoxyphenyl)tetrazol-2-yl]-acetamide N-[(4-methoxyphenyl)methyl]-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)	2.93	-0.16	-16.88	1	8	0	91	381.436	9	↓ MOL2 SDF SMILES Flexibase

62887774

Analogs

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Popular Name: N-allyl-N-[(3-nitrophenyl)methyl]-2-[5-(p-tolyl)tetrazol-2-yl]acetamide N-allyl-N-[(3-nitrophenyl)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)	3.21	11.27	-16.48	0	9	0	110	392.419	8	↓ MOL2 SDF SMILES Flexibase

62887963

Analogs

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Popular Name: N-allyl-N-[(3-nitrophenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide N-allyl-N-[(3-nitrophenyl)methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	10.6	-26.95	0	9	0	110	378.392	8	↓ MOL2 SDF SMILES Flexibase

62903423

Analogs

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Popular Name: N-allyl-N-[(3-cyanophenyl)methyl]-2-[5-(p-tolyl)tetrazol-2-yl]acetamide N-allyl-N-[(3-cyanophenyl)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)	3.01	10.94	-16.92	0	7	0	88	372.432	7	↓ MOL2 SDF SMILES Flexibase

64972778

Analogs

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Popular Name: ethyl ethyl

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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)	2.59	10.72	-21.76	0	8	0	90	397.41	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 4841
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 = 4841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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">
    window.zinc.embed('zinc-link', {
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