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ZINC Item

Suppliers, Protomers, & Similar Substances

752055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL-; DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine; LS-16013 Alanine, N-(2,4-dichloro-phenoxy…

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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	-0.05	-59.3	1	5	-1	78	367.208	7	↓ MOL2 SDF SMILES Flexibase

752056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL-; DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine; LS-16013 Alanine, N-(2,4-dichloro-phenoxy…

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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	-0.05	-59.31	1	5	-1	78	367.208	7	↓ MOL2 SDF SMILES Flexibase

752060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-(2,4-dibromophenoxy)-N-(2-phenylethyl)- acetamide, 2-(2,4-dibromophenoxy…

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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)	4.45	-1.64	-14.5	1	3	0	38	413.109	6	↓ MOL2 SDF SMILES Flexibase

5779115

Analogs

14604998
14604999
48298907
43958
63715

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-phenylpropyl)acetamide 2-(4-chloro-3-methyl-phenoxy)-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)	4.76	9.64	-12.52	1	3	0	38	317.816	6	↓ MOL2 SDF SMILES Flexibase

5779119

Analogs

14604998
14604999
48298907
43958
63715

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-(2-phenylpropyl)acetamide 2-(4-chloro-3-methyl-phenoxy)-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)	4.76	9.66	-12.5	1	3	0	38	317.816	6	↓ MOL2 SDF SMILES Flexibase

5779149

Analogs

3608985

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide 2-(4-chloro-3-methyl-phenoxy)-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)	4.36	10.1	-17.35	1	5	0	57	391.895	10	↓ MOL2 SDF SMILES Flexibase

6051394

Analogs

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Popular Name: 2-(2-nitrophenoxy)-N-(2-phenylpropyl)acetamide 2-(2-nitrophenoxy)-N-(2-phenylpr…

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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	1.19	-24.37	1	6	0	84	314.341	7	↓ MOL2 SDF SMILES Flexibase

6051395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-nitrophenoxy)-N-(2-phenylpropyl)acetamide 2-(2-nitrophenoxy)-N-(2-phenylpr…

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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	1.19	-24.4	1	6	0	84	314.341	7	↓ MOL2 SDF SMILES Flexibase

6051453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-phenylpropyl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-phe…

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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)	4.99	0.09	-14.27	1	3	0	38	338.234	6	↓ MOL2 SDF SMILES Flexibase

6051455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-phenylpropyl)acetamide 2-(2,4-dichlorophenoxy)-N-(2-phe…

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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)	4.99	0.1	-14.28	1	3	0	38	338.234	6	↓ MOL2 SDF SMILES Flexibase

6541072

Analogs

6541202
3374765
3606411

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-(4-cyano-2-ethoxy-phenoxy)-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)	2.68	1.49	-20.56	1	6	0	80	354.406	9	↓ MOL2 SDF SMILES Flexibase

6541202

Analogs

3374765
6401689
6401870
6541072
3606411

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-phenethyl-acetamide 2-(4-cyano-2-ethoxy-phenoxy)-N-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)	2.63	1.47	-18.69	1	5	0	71	324.38	8	↓ MOL2 SDF SMILES Flexibase

7152820

Analogs

4562674

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethylcarbamoylmethoxy]benzamide 2-[2-[4-(difluoromethoxy)-3-meth…

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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)	2.43	-0.98	-29.77	3	7	0	99	394.374	10	↓ MOL2 SDF SMILES Flexibase

49915824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-chlorophenyl)-2-hydroxy-ethyl]-2-phenoxy-acetamide N-[(2R)-2-(4-chlorophenyl)-2-hyd…

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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	5.4	-13.37	2	4	0	59	305.761	6	↓ MOL2 SDF SMILES Flexibase

49915825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]-2-phenoxy-acetamide N-[(2S)-2-(4-chlorophenyl)-2-hyd…

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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	5.31	-13.43	2	4	0	59	305.761	6	↓ MOL2 SDF SMILES Flexibase

27315920

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)	2.31	7.61	-26.82	1	8	0	92	403.431	11	↓ MOL2 SDF SMILES Flexibase

32472522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-4-fluoro-phenoxy)-N-(2-methyl-2-phenyl-propyl)acetamide 2-(2-chloro-4-fluoro-phenoxy)-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)	4.65	9.66	-16.81	1	3	0	38	335.806	6	↓ MOL2 SDF SMILES Flexibase

33223157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(2,3-dimethylphenoxy)propanamide (2R)-N-[2-(2-bromo-4,5-dimethoxy…

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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)	4.45	9.45	-16.38	1	5	0	57	436.346	8	↓ MOL2 SDF SMILES Flexibase

33223158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(2,3-dimethylphenoxy)propanamide (2S)-N-[2-(2-bromo-4,5-dimethoxy…

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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)	4.45	9.49	-16.31	1	5	0	57	436.346	8	↓ MOL2 SDF SMILES Flexibase

35367065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-phenoxy-acetamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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)	0.99	2.76	-13.38	4	5	0	85	286.331	6	↓ MOL2 SDF SMILES Flexibase

35367066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-2-phenoxy-acetamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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)	0.99	2.66	-13.48	4	5	0	85	286.331	6	↓ MOL2 SDF SMILES Flexibase

53311017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(2R)-3-methyl-2-phenyl-butyl]amino]-2-oxo-ethoxy]benzamide 4-[2-[[(2R)-3-methyl-2-phenyl-bu…

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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	6.37	-15.67	3	5	0	81	340.423	8	↓ MOL2 SDF SMILES Flexibase

53311020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[(2S)-3-methyl-2-phenyl-butyl]amino]-2-oxo-ethoxy]benzamide 4-[2-[[(2S)-3-methyl-2-phenyl-bu…

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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	6.4	-15.91	3	5	0	81	340.423	8	↓ MOL2 SDF SMILES Flexibase

53316911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,6-difluorophenyl)ethyl]-2-(4-formylphenoxy)acetamide N-[2-(2,6-difluorophenyl)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)	2.93	7.76	-19.31	1	4	0	55	319.307	7	↓ MOL2 SDF SMILES Flexibase

53328538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-acetamidophenoxy)-N-[2-(4-tert-butylphenyl)ethyl]acetamide 2-(2-acetamidophenoxy)-N-[2-(4-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)	3.78	9.27	-16.71	2	5	0	67	368.477	8	↓ MOL2 SDF SMILES Flexibase

18963420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-4-cyano-phenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 2-(2-chloro-4-cyano-phenoxy)-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	3.85	-27.32	3	7	0	122	393.852	7	↓ MOL2 SDF SMILES Flexibase

36111469

Analogs

26374402
26374404

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-methylphenoxy)acetamide N-[2-(2-methoxyphenyl)ethyl]-N-m…

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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	10.15	-15.92	0	4	0	39	313.397	7	↓ MOL2 SDF SMILES Flexibase

53441213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-formyl-2-nitro-phenoxy)-N-(2-methyl-2-phenyl-propyl)acetamide 2-(4-formyl-2-nitro-phenoxy)-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)	3.55	9.95	-22.86	1	7	0	101	356.378	8	↓ MOL2 SDF SMILES Flexibase

53441684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,6-difluorophenyl)ethyl]-2-(4-formyl-2-nitro-phenoxy)acetamide N-[2-(2,6-difluorophenyl)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)	2.81	8.95	-23.8	1	7	0	101	364.304	8	↓ MOL2 SDF SMILES Flexibase

36333182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[(2R)-2-(diethylamino)-2-phenyl-ethyl]acetamide 2-(4-allyl-2-methoxy-phenoxy)-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)	3.88	12.05	-48.61	2	5	1	52	397.539	12	↓ MOL2 SDF SMILES Flexibase

36333184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]acetamide 2-(4-allyl-2-methoxy-phenoxy)-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)	3.88	11.49	-48.8	2	5	1	52	397.539	12	↓ MOL2 SDF SMILES Flexibase

22678895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	3.92	10.84	-49.35	2	5	1	52	371.501	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.92	8.78	-13.09	1	5	0	51	370.493	8	↓ MOL2 SDF SMILES Flexibase

22678899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	3.92	10.94	-48.89	2	5	1	52	371.501	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.92	8.9	-12.98	1	5	0	51	370.493	8	↓ MOL2 SDF SMILES Flexibase

22678903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	4.14	11.11	-48.45	2	5	1	52	385.528	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.14	8.75	-12.47	1	5	0	51	384.52	9	↓ MOL2 SDF SMILES Flexibase

22678907

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(4-isopropyl-3-methyl-phenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	4.14	11.34	-50.91	2	5	1	52	385.528	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.14	9.32	-14.13	1	5	0	51	384.52	9	↓ MOL2 SDF SMILES Flexibase

22678911

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(5-isopropyl-2-methyl-phenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	4.61	11.73	-49.99	2	5	1	52	385.528	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.61	10.07	-12.4	1	5	0	51	384.52	9	↓ MOL2 SDF SMILES Flexibase

22678915

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(5-isopropyl-2-methyl-phenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	4.61	11.41	-51.28	2	5	1	52	385.528	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.61	9.37	-13.7	1	5	0	51	384.52	9	↓ MOL2 SDF SMILES Flexibase

22678929

Analogs

14514825
14514827

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	3.15	8.95	-53.99	2	6	1	61	373.473	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	6.9	-15.53	1	6	0	60	372.465	10	↓ MOL2 SDF SMILES Flexibase

22678934

Analogs

14514825
14514827

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	3.15	8.96	-53.22	2	6	1	61	373.473	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	6.87	-15.48	1	6	0	60	372.465	10	↓ MOL2 SDF SMILES Flexibase

22678938

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	3.52	9.98	-48.26	2	5	1	52	357.474	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	7.61	-12.46	1	5	0	51	356.466	8	↓ MOL2 SDF SMILES Flexibase

22678943

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	3.52	10.13	-51.02	2	5	1	52	357.474	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	8.12	-14.27	1	5	0	51	356.466	8	↓ MOL2 SDF SMILES Flexibase

22678972

Analogs

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Popular Name: 2-(2-bromo-4-chloro-phenoxy)-N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]acetamide 2-(2-bromo-4-chloro-phenoxy)-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)	4.14	9.76	-52.43	2	5	1	52	442.761	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.14	7.39	-13.7	1	5	0	51	441.753	8	↓ MOL2 SDF SMILES Flexibase

22678976

Analogs

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Popular Name: 2-(2-bromo-4-chloro-phenoxy)-N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]acetamide 2-(2-bromo-4-chloro-phenoxy)-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)	4.14	10	-54.47	2	5	1	52	442.761	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.14	7.98	-15.56	1	5	0	51	441.753	8	↓ MOL2 SDF SMILES Flexibase

22678980

Analogs

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Popular Name: 2-(4-acetyl-2-methoxy-phenoxy)-N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]acetamide 2-(4-acetyl-2-methoxy-phenoxy)-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)	2.21	9	-63.07	2	7	1	78	401.483	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	6.97	-23.55	1	7	0	77	400.475	10	↓ MOL2 SDF SMILES Flexibase

22678984

Analogs

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Popular Name: 2-(4-acetyl-2-methoxy-phenoxy)-N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]acetamide 2-(4-acetyl-2-methoxy-phenoxy)-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)	2.21	8.9	-63.08	2	7	1	78	401.483	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	6.89	-23.6	1	7	0	77	400.475	10	↓ MOL2 SDF SMILES Flexibase

22678988

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methyl-phenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	2.76	9.2	-49.86	2	6	1	61	373.473	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.76	7.77	-15.49	1	6	0	60	372.465	9	↓ MOL2 SDF SMILES Flexibase

22678993

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methyl-phenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	2.76	9.2	-51.21	2	6	1	61	373.473	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.76	6.48	-14.79	1	6	0	60	372.465	9	↓ MOL2 SDF SMILES Flexibase

22679004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	3.52	10.19	-49.42	2	5	1	52	357.474	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	8.13	-13.15	1	5	0	51	356.466	8	↓ MOL2 SDF SMILES Flexibase

22679008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide N-[(2R)-2-dimethylamino-2-(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)	3.52	10.2	-48.68	2	5	1	52	357.474	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	8.11	-13.09	1	5	0	51	356.466	8	↓ MOL2 SDF SMILES Flexibase

22679020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide N-[(2S)-2-dimethylamino-2-(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)	3.55	9.96	-48.25	2	5	1	52	357.474	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.55	7.59	-12.28	1	5	0	51	356.466	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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