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ZINC Item

Suppliers, Protomers, & Similar Substances

61698263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(5-phenyltetr…

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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)	1.39	6.97	-59.26	3	5	1	71	300.773	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.39	6.65	-8.76	2	5	0	70	299.765	3	↓ MOL2 SDF SMILES Flexibase

61698264

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(5-phenyltetr…

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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)	1.39	6.96	-59.28	3	5	1	71	300.773	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.39	6.64	-8.58	2	5	0	70	299.765	3	↓ MOL2 SDF SMILES Flexibase

61698265

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(5-phenyltetra…

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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	7.12	-59.18	3	5	1	71	345.224	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.52	6.8	-8.57	2	5	0	70	344.216	3	↓ MOL2 SDF SMILES Flexibase

61698266

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(5-phenyltetra…

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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	7.11	-59.14	3	5	1	71	345.224	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.52	6.79	-8.34	2	5	0	70	344.216	3	↓ MOL2 SDF SMILES Flexibase

3236576

Analogs

5775903

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(E)-(3,4-difluorobenzylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide N-[(E)-(3,4-difluorobenzylidene)…

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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	1.55	-22.49	1	7	0	85	342.309	5	↓ MOL2 SDF SMILES Flexibase

6050836

Analogs

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Popular Name: N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]hexanamide N-[(2-ethyltetrazol-5-yl)thiocar…

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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)	1.83	7.07	-22.19	2	7	0	85	270.362	8	↓ MOL2 SDF SMILES Flexibase

3236607

Analogs

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Popular Name: N-(fluoren-9-ylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide N-(fluoren-9-ylideneamino)-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)	4.14	0.62	-23.52	1	7	0	85	380.411	4	↓ MOL2 SDF SMILES Flexibase

6051176

Analogs

6138567

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butoxy-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]benzamide 4-butoxy-N-[(2-ethyltetrazol-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)	2.59	-0.34	-21.92	2	8	0	93	348.432	9	↓ MOL2 SDF SMILES Flexibase

6541161

Analogs

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Popular Name: 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]aminothiophene-3-carboxamide 2-[2-[5-(4-bromophenyl)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)	1.58	-3.34	-15.69	3	8	0	115	407.253	5	↓ MOL2 SDF SMILES Flexibase

6541164

Analogs

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Popular Name: 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-7-methyl-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-5 3-[[5-(4-bromophenyl)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)	3.15	8.5	-39.24	1	7	1	79	404.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	8.1	-13.53	0	7	0	78	403.265	3	↓ MOL2 SDF SMILES Flexibase

6541188

Analogs

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Popular Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(p-tolyl)isoxazol-5-yl]-acetamide 2-[5-(4-fluorophenyl)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)	3.13	2.37	-24.55	1	8	0	98	378.367	5	↓ MOL2 SDF SMILES Flexibase

6878242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-ethyl-2H-1,2,4-triazole-3-thione 5-[[5-(3,4-dimethoxyphenyl)tetra…

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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)	0.67	-0.93	-19.97	1	9	0	95	347.404	6	↓ MOL2 SDF SMILES Flexibase

6878353

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)	2.92	1.7	-19.72	1	11	0	129	478.538	10	↓ MOL2 SDF SMILES Flexibase

6878357

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)	3.30	1.67	-19.53	1	11	0	129	492.565	11	↓ MOL2 SDF SMILES Flexibase

6878367

Analogs

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Popular Name: 2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-aceta 2-[[4-ethyl-5-[(5-phenyltetrazol…

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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	0.59	-18.38	1	10	0	112	450.528	9	↓ MOL2 SDF SMILES Flexibase

6878413

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)	2.90	1.71	-23.63	1	11	0	129	478.538	10	↓ MOL2 SDF SMILES Flexibase

7148798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 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)	3.11	1.6	-12.6	0	6	0	65	400.28	5	↓ MOL2 SDF SMILES Flexibase

7148802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)-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)	2.60	6	-21.65	1	7	0	97	375.23	4	↓ MOL2 SDF SMILES Flexibase

7148821

Analogs

5326944

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(4-nitrophenyl)-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	0.28	-21.18	1	9	0	118	403.196	5	↓ MOL2 SDF SMILES Flexibase

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

7148828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-ethyl-N-phenyl-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)	3.67	1.57	-15.49	0	6	0	63	386.253	5	↓ MOL2 SDF SMILES Flexibase

7148853

Analogs

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Popular Name: 5-(4-bromophenyl)-2-[(2-ethoxyphenyl)methyl]tetrazole 5-(4-bromophenyl)-2-[(2-ethoxyph…

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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)	4.22	8.71	-7.22	0	5	0	53	359.227	5	↓ 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

7148884

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(5-fluoro-2-methoxy-phenyl)-ethanone 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)	3.38	3.28	-15.36	0	6	0	69	346.749	5	↓ MOL2 SDF SMILES Flexibase

7148887

Analogs

16684913

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 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)	3.33	2.99	-13.27	0	6	0	65	357.845	5	↓ MOL2 SDF SMILES Flexibase

7148896

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N,N-dimethyl-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)	1.00	1.17	-16.13	0	6	0	63	265.704	3	↓ MOL2 SDF SMILES Flexibase

7148898

Analogs

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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

7148902

Analogs

7148908

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-ethan 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)	2.96	1.49	-14.86	0	7	0	74	399.882	6	↓ MOL2 SDF SMILES Flexibase

7148908

Analogs

7148902

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-ethan 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)	2.96	1.68	-14.65	0	7	0	74	399.882	6	↓ MOL2 SDF SMILES Flexibase

7148911

Analogs

39575735
39575736
39575877
39575878

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(4-ethylphenyl)-ethanone 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)	4.15	2.29	-13.92	0	5	0	60	326.787	5	↓ MOL2 SDF SMILES Flexibase

7148928

Analogs

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Popular Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(1-allyl-2,5-dimethyl-pyrrol-3…

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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)	3.23	3.26	-13.42	0	6	0	65	355.829	6	↓ MOL2 SDF SMILES Flexibase

7148935

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-ethanone 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)	3.44	3.52	-16.08	0	7	0	78	395.85	6	↓ MOL2 SDF SMILES Flexibase

7148943

Analogs

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Popular Name: 1-benzo[1,3]dioxol-5-yl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-benzo[1,3]dioxol-5-yl-2-[5-(3-…

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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	6.87	-18.27	0	7	0	79	342.742	4	↓ MOL2 SDF SMILES Flexibase

7148963

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethoxyphenyl)-ethanone 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)	3.28	2.58	-18.26	0	7	0	79	358.785	6	↓ MOL2 SDF SMILES Flexibase

7148966

Analogs

7149001

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-ethanone 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)	3.47	2.88	-13.23	0	6	0	65	357.845	6	↓ MOL2 SDF SMILES Flexibase

7148970

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-ethanone 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)	2.85	2.2	-15.17	0	7	0	74	387.871	8	↓ MOL2 SDF SMILES Flexibase

7148976

Analogs

15081691

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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)	1.95	2.48	-12.39	0	6	0	69	252.661	4	↓ MOL2 SDF SMILES Flexibase

7148980

Analogs

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Popular Name: 1-(4-chlorophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(4-chlorophenyl)-2-[5-(3-chlor…

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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)	3.91	1.66	-14.03	0	5	0	60	333.178	4	↓ MOL2 SDF SMILES Flexibase

7148997

Analogs

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Popular Name: 1-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]-ethanone 1-(4-bromophenyl)-2-[5-(3-chloro…

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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)	4.04	1.05	-13.92	0	5	0	60	377.629	4	↓ MOL2 SDF SMILES Flexibase

7149001

Analogs

16684913
7148966

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-ethanone 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)	2.96	2.21	-13.59	0	6	0	65	355.829	5	↓ MOL2 SDF SMILES Flexibase

7149009

Analogs

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Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-ethyl-N-phenyl-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)	3.51	9.22	-16.84	0	6	0	64	341.802	5	↓ MOL2 SDF SMILES Flexibase

7149043

Analogs

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Popular Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-(1-ethyl-2,5-dimethyl-pyrrol-3…

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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)	2.45	3.7	-13.97	0	6	0	65	327.363	5	↓ MOL2 SDF SMILES Flexibase

7149056

Analogs

7143581

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Popular Name: 1-(5-fluoro-2-methoxy-phenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-(5-fluoro-2-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)	2.87	4.16	-15.74	0	6	0	69	330.294	5	↓ MOL2 SDF SMILES Flexibase

7149077

Analogs

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-tetralin-2-yl-ethanone 2-[5-(3-fluorophenyl)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)	3.90	2.6	-14.65	0	5	0	60	336.37	4	↓ MOL2 SDF SMILES Flexibase

7149087

Analogs

5169399
3351411

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-1H-indol-3-yl)-ethanone 2-[5-(3-fluorophenyl)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)	3.09	8.47	-15.18	1	6	0	76	335.342	4	↓ MOL2 SDF SMILES Flexibase

7149092

Analogs

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(3-methoxypropyl)acetamide 2-[5-(3-fluorophenyl)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)	0.94	-0.31	-16.61	1	7	0	81	293.302	7	↓ MOL2 SDF SMILES Flexibase

7149094

Analogs

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-methyl-acetamide 2-[5-(3-fluorophenyl)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)	0.68	2.52	-16.78	1	6	0	73	235.222	3	↓ MOL2 SDF SMILES Flexibase

7149104

Analogs

5088753

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Popular Name: 1-benzo[1,3]dioxol-5-yl-2-[5-(3-fluorophenyl)tetrazol-2-yl]-ethanone 1-benzo[1,3]dioxol-5-yl-2-[5-(3-…

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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)	2.61	1.87	-18.74	0	7	0	79	326.287	4	↓ MOL2 SDF SMILES Flexibase

7149111

Analogs

7149113
5088950
5088951

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-1-piperidyl)-ethanone 2-[5-(3-fluorophenyl)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)	2.16	1.54	-15.48	0	6	0	63	303.341	3	↓ MOL2 SDF SMILES Flexibase

7149113

Analogs

7149111
5088950
5088951

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Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methyl-1-piperidyl)-ethanone 2-[5-(3-fluorophenyl)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)	2.16	1.53	-14.69	0	6	0	63	303.341	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 1929
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 = 1929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1929&filter.purchasability=annotated

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', {
        "ring.id": "1929"        

    });
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