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ZINC Item

Suppliers, Protomers, & Similar Substances

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

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

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

11531406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]-acetamide N-[3-chloro-4-(difluoromethoxy)p…

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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	1.26	-18.84	1	7	0	82	414.199	6	↓ MOL2 SDF SMILES Flexibase

11531427

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-diethoxyphenyl)-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	0.73	-19.02	1	8	0	91	401.854	8	↓ MOL2 SDF SMILES Flexibase

11531488

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-isopropyl-N-phenyl-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)	3.83	2.31	-15.23	0	6	0	64	355.829	5	↓ MOL2 SDF SMILES Flexibase

11531516

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(ethyl-isopropyl-amino)phenyl]-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)	4.07	1.03	-16.55	1	7	0	76	398.898	7	↓ MOL2 SDF SMILES Flexibase

11531521

Analogs

5327011

Draw Identity 99% 90% 80% 70%

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

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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)	3.96	0.67	-14.34	1	7	0	82	392.246	5	↓ MOL2 SDF SMILES Flexibase

11531549

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[5-(4-chlorophenyl)tetrazol-2-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)	3.69	1.12	-13.1	1	6	0	73	366.183	4	↓ MOL2 SDF SMILES Flexibase

11531576

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,4,6-trichlorophenyl)-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)	4.81	0.3	-13.84	1	6	0	73	417.083	4	↓ MOL2 SDF SMILES Flexibase

11531596

Analogs

5088552
5326984
11531348

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,6-diethylphenyl)-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)	3.71	1.56	-15.05	1	6	0	73	369.856	6	↓ MOL2 SDF SMILES Flexibase

11531605

Analogs

4549162
4549338

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[5-(4-chlorophenyl)tetrazol-2-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)	3.97	0.7	-13.28	1	6	0	73	362.22	4	↓ MOL2 SDF SMILES Flexibase

11531690

Analogs

4549364

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]-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)	3.81	2.53	-17.23	1	6	0	73	381.745	5	↓ MOL2 SDF SMILES Flexibase

11531759

Analogs

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Popular Name: 4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino-N,N-diethyl-benzamide 4-[2-[5-(4-chlorophenyl)tetrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	0.71	-24.14	1	8	0	93	412.881	7	↓ MOL2 SDF SMILES Flexibase

11531789

Analogs

5327044

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-ethoxy-2-nitro-phenyl)-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)	3.24	1.3	-14.73	1	10	0	128	402.798	7	↓ MOL2 SDF SMILES Flexibase

11531792

Analogs

5327044

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-methoxy-2-nitro-phenyl)-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)	2.86	1.3	-14.3	1	10	0	128	388.771	6	↓ MOL2 SDF SMILES Flexibase

11531796

Analogs

5327045

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-nitrophenyl)-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)	2.87	7.44	-21.11	1	9	0	119	358.745	5	↓ MOL2 SDF SMILES Flexibase

11531799

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-methyl-2-nitro-phenyl)-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)	3.25	1.61	-13.92	1	9	0	119	372.772	5	↓ MOL2 SDF SMILES Flexibase

11531803

Analogs

5036919

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-fluoro-5-nitro-phenyl)-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)	2.97	1.65	-20.35	1	9	0	119	376.735	5	↓ MOL2 SDF SMILES Flexibase

11531808

Analogs

5327047

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methoxy-4-nitro-phenyl)-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)	2.86	1.02	-17.44	1	10	0	128	388.771	6	↓ MOL2 SDF SMILES Flexibase

11531827

Analogs

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Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-chloro-6-(trifluoromethyl)phenyl]-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)	4.39	2.77	-15.19	1	6	0	73	416.19	5	↓ MOL2 SDF SMILES Flexibase

11531831

Analogs

5327033

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,6-dibromo-4-methyl-phenyl)-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)	4.84	-0.33	-14.26	1	6	0	73	485.567	4	↓ MOL2 SDF SMILES Flexibase

53477346

Analogs

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Popular Name: (2S)-N-[3-(dimethylaminomethyl)phenyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (2S)-N-[3-(dimethylaminomethyl)p…

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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	10.05	-55.23	2	7	1	77	379.488	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	7.58	-15.65	1	7	0	76	378.48	7	↓ MOL2 SDF SMILES Flexibase

53477347

Analogs

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Popular Name: (2R)-N-[3-(dimethylaminomethyl)phenyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (2R)-N-[3-(dimethylaminomethyl)p…

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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	10.13	-52.93	2	7	1	77	379.488	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	7.66	-14.73	1	7	0	76	378.48	7	↓ MOL2 SDF SMILES Flexibase

36638243

Analogs

1330302

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide N-(4-acetamidophenyl)-2-[5-(2,3-…

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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)	1.28	4.73	-30.8	2	10	0	120	396.407	7	↓ MOL2 SDF SMILES Flexibase

13008039

Analogs

5088496

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide N-[3-chloro-4-(difluoromethoxy)p…

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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)	3.46	6.33	-21.29	1	7	0	82	379.754	6	↓ MOL2 SDF SMILES Flexibase

23010151

Analogs

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethynylphenyl)butanamide (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)	3.52	9.28	-16.62	1	6	0	73	365.824	5	↓ MOL2 SDF SMILES Flexibase

23010156

Analogs

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Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethynylphenyl)butanamide (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)	3.52	9.39	-22.12	1	6	0	73	365.824	5	↓ MOL2 SDF SMILES Flexibase

23931609

Analogs

5036460

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(p-tolyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (2S)-2-[5-(p-tolyl)tetrazol-2-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)	3.40	7.71	-15.85	1	6	0	73	361.327	4	↓ MOL2 SDF SMILES Flexibase

23931613

Analogs

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Popular Name: (2R)-2-[5-(p-tolyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (2R)-2-[5-(p-tolyl)tetrazol-2-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)	3.40	7.72	-15.91	1	6	0	73	361.327	4	↓ MOL2 SDF SMILES Flexibase

23931617

Analogs

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Popular Name: (2S)-N-[4-(difluoromethoxy)phenyl]-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2S)-N-[4-(difluoromethoxy)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)	3.66	7.07	-21.47	1	7	0	82	373.363	6	↓ MOL2 SDF SMILES Flexibase

23931621

Analogs

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Popular Name: (2R)-N-[4-(difluoromethoxy)phenyl]-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-[4-(difluoromethoxy)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)	3.66	7.07	-21.26	1	7	0	82	373.363	6	↓ MOL2 SDF SMILES Flexibase

23931989

Analogs

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Popular Name: (2S)-N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]propanamide (2S)-N-(3-chlorophenyl)-2-[5-(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)	3.93	7.88	-16.46	1	6	0	73	362.22	4	↓ MOL2 SDF SMILES Flexibase

23931992

Analogs

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Popular Name: (2R)-N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]propanamide (2R)-N-(3-chlorophenyl)-2-[5-(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)	3.93	7.87	-16.25	1	6	0	73	362.22	4	↓ MOL2 SDF SMILES Flexibase

23932006

Analogs

3423932

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-fluorophenyl)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)	3.39	7.47	-14.82	1	6	0	73	345.765	4	↓ MOL2 SDF SMILES Flexibase

23932010

Analogs

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Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-fluorophenyl)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)	3.39	7.46	-14.73	1	6	0	73	345.765	4	↓ MOL2 SDF SMILES Flexibase

23932030

Analogs

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)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)	3.63	7.56	-14.74	1	6	0	73	381.745	4	↓ MOL2 SDF SMILES Flexibase

23932034

Analogs

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Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)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)	3.63	7.58	-14.77	1	6	0	73	381.745	4	↓ MOL2 SDF SMILES Flexibase

23932037

Analogs

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]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)	3.89	6.93	-20.06	1	7	0	82	393.781	6	↓ MOL2 SDF SMILES Flexibase

23932041

Analogs

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Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]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)	3.89	6.93	-19.81	1	7	0	82	393.781	6	↓ MOL2 SDF SMILES Flexibase

23938770

Analogs

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Popular Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2S)-N-(2-chloro-5-nitro-phenyl)…

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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	8.8	-22.59	1	9	0	119	386.799	5	↓ MOL2 SDF SMILES Flexibase

23938772

Analogs

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Popular Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-(2-chloro-5-nitro-phenyl)…

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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	8.78	-22.48	1	9	0	119	386.799	5	↓ MOL2 SDF SMILES Flexibase

23938774

Analogs

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Popular Name: (2S)-N-(2,5-dichlorophenyl)-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2S)-N-(2,5-dichlorophenyl)-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)	4.33	8.63	-16.23	1	6	0	73	376.247	4	↓ MOL2 SDF SMILES Flexibase

23938776

Analogs

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Popular Name: (2R)-N-(2,5-dichlorophenyl)-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-(2,5-dichlorophenyl)-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)	4.33	8.63	-16.17	1	6	0	73	376.247	4	↓ MOL2 SDF SMILES Flexibase

23938778

Analogs

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Popular Name: (2S)-N-phenyl-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2S)-N-phenyl-2-[5-(p-tolyl)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)	3.05	7.5	-19.52	1	6	0	73	307.357	4	↓ MOL2 SDF SMILES Flexibase

23938780

Analogs

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Popular Name: (2R)-N-phenyl-2-[5-(p-tolyl)tetrazol-2-yl]propanamide (2R)-N-phenyl-2-[5-(p-tolyl)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)	3.05	7.49	-19.3	1	6	0	73	307.357	4	↓ MOL2 SDF SMILES Flexibase

23939023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chloro-5-nitro-phenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]propanamide (2S)-N-(2-chloro-5-nitro-phenyl)…

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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)	3.84	8.66	-21.16	1	9	0	119	407.217	5	↓ MOL2 SDF SMILES Flexibase

23939025

Analogs

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Popular Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]propanamide (2R)-N-(2-chloro-5-nitro-phenyl)…

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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)	3.84	8.66	-21.14	1	9	0	119	407.217	5	↓ MOL2 SDF SMILES Flexibase

23939027

Analogs

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Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dichlorophenyl)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)	4.56	8.49	-14.82	1	6	0	73	396.665	4	↓ MOL2 SDF SMILES Flexibase

23939029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dichlorophenyl)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)	4.56	8.48	-14.82	1	6	0	73	396.665	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 4839
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 = 4839 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', {
        "ring.id": "4839"        

    });
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