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ZINC Item

Suppliers, Protomers, & Similar Substances

6541047

Analogs

16707828
21759292
3403997

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-(2-phenoxyphenyl)-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)	4.22	2.83	-16.25	1	6	0	80	388.423	8	↓ MOL2 SDF SMILES Flexibase

29756764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-cyanophenoxy)-N-[2-(4-ethoxyphenoxy)phenyl]propanamide (2R)-2-(2-cyanophenoxy)-N-[2-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.01	11.19	-20.7	1	6	0	81	402.45	8	↓ MOL2 SDF SMILES Flexibase

29756765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-cyanophenoxy)-N-[2-(4-ethoxyphenoxy)phenyl]propanamide (2S)-2-(2-cyanophenoxy)-N-[2-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.01	11.18	-20.66	1	6	0	81	402.45	8	↓ MOL2 SDF SMILES Flexibase

53312113

Analogs

6290288
39857907
39857993

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxo-ethoxy]benzamide 4-[2-[2-(4-ethoxyphenoxy)anilino…

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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)	3.75	6.93	-16.95	3	7	0	100	406.438	9	↓ MOL2 SDF SMILES Flexibase

13014047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]phenyl]propanoic 3-[2-[2-oxo-2-[(2-phenoxyphenyl)…

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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)	4.40	11.18	-65.18	1	6	-1	88	390.415	9	↓ MOL2 SDF SMILES Flexibase

13014585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5-trichloro-6-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]benzoic 2,3,5-trichloro-6-[2-oxo-2-[(2-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)	5.89	11.12	-54.81	1	6	-1	88	465.696	7	↓ MOL2 SDF SMILES Flexibase

23018201

Analogs

39858105
39858106
6357520
6358209

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxy-propanamide (2R)-N-[2-(4-ethoxyphenoxy)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)	5.30	10.74	-13.53	1	5	0	57	377.44	8	↓ MOL2 SDF SMILES Flexibase

23018205

Analogs

39858105
39858106
6357520
6358209

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(4-ethoxyphenoxy)phenyl]-2-phenoxy-propanamide (2S)-N-[2-(4-ethoxyphenoxy)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)	5.30	10.81	-13.13	1	5	0	57	377.44	8	↓ MOL2 SDF SMILES Flexibase

13409996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(5-chloro-2-phenoxy-phenyl)amino]-2-oxo-ethoxy]benzoic 2-[2-[(5-chloro-2-phenoxy-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)	5.10	10.56	-72.8	1	6	-1	88	396.806	7	↓ MOL2 SDF SMILES Flexibase

13412010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[5-chloro-2-(4-ethoxypheno…

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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)	5.54	10.78	-72.65	1	7	-1	97	440.859	9	↓ MOL2 SDF SMILES Flexibase

13412044

Analogs

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Popular Name: 2-[2-[[5-chloro-2-(4-methylphenoxy)phenyl]amino]-2-oxo-ethoxy]benzoic 2-[2-[[5-chloro-2-(4-methylpheno…

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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)	5.55	11.24	-72.87	1	6	-1	88	410.833	7	↓ MOL2 SDF SMILES Flexibase

13412624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(5-chloro-2-phenoxy-phenyl)amino]-2-oxo-ethoxy]benzoic 4-[2-[(5-chloro-2-phenoxy-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)	5.07	10.07	-55.31	1	6	-1	88	396.806	7	↓ MOL2 SDF SMILES Flexibase

13414242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[5-chloro-2-(4-ethoxypheno…

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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)	5.50	10.29	-56	1	7	-1	97	440.859	9	↓ MOL2 SDF SMILES Flexibase

13414274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-chloro-2-(4-methylphenoxy)phenyl]amino]-2-oxo-ethoxy]benzoic 4-[2-[[5-chloro-2-(4-methylpheno…

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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)	5.52	10.75	-55.26	1	6	-1	88	410.833	7	↓ MOL2 SDF SMILES Flexibase

13418873

Analogs

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Popular Name: 3-[2-[(5-chloro-2-phenoxy-phenyl)amino]-2-oxo-ethoxy]benzoic 3-[2-[(5-chloro-2-phenoxy-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)	5.04	10.06	-62.81	1	6	-1	88	396.806	7	↓ MOL2 SDF SMILES Flexibase

13419433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[5-chloro-2-(4-ethoxypheno…

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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)	5.48	10.28	-63	1	7	-1	97	440.859	9	↓ MOL2 SDF SMILES Flexibase

13419444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[5-chloro-2-(4-methylphenoxy)phenyl]amino]-2-oxo-ethoxy]benzoic 3-[2-[[5-chloro-2-(4-methylpheno…

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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)	5.49	10.74	-62.67	1	6	-1	88	410.833	7	↓ MOL2 SDF SMILES Flexibase

13419512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]benzoic 3-methoxy-4-[2-oxo-2-[(2-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)	4.00	9.31	-57.28	1	7	-1	97	392.387	8	↓ MOL2 SDF SMILES Flexibase

13419829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(5-chloro-2-phenoxy-phenyl)amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[(5-chloro-2-phenoxy-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)	4.66	9.76	-56.05	1	7	-1	97	426.832	8	↓ MOL2 SDF SMILES Flexibase

13420561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[5-chloro-2-(4-ethoxypheno…

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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)	5.09	10.04	-56.99	1	8	-1	106	470.885	10	↓ MOL2 SDF SMILES Flexibase

13420588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-chloro-2-(4-methylphenoxy)phenyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-[[5-chloro-2-(4-methylpheno…

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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)	5.11	10.43	-55.95	1	7	-1	97	440.859	8	↓ MOL2 SDF SMILES Flexibase

13420684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]phenyl]acetic 2-[4-[2-oxo-2-[(2-phenoxyphenyl)…

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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	10.29	-53.19	1	6	-1	88	376.388	8	↓ MOL2 SDF SMILES Flexibase

13420978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[(5-chloro-2-phenoxy-phenyl)amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[(5-chloro-2-phenoxy-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)	4.58	10.8	-53.14	1	6	-1	88	410.833	8	↓ MOL2 SDF SMILES Flexibase

13421636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[5-chloro-2-(4-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)	5.01	11.09	-54.21	1	7	-1	97	454.886	10	↓ MOL2 SDF SMILES Flexibase

13421661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[[5-chloro-2-(4-methylphenoxy)phenyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[5-chloro-2-(4-methylph…

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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)	5.03	11.54	-53.49	1	6	-1	88	424.86	8	↓ MOL2 SDF SMILES Flexibase

13421752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]benzene-1,3-dicarboxylic 4-[2-oxo-2-[(2-phenoxyphenyl)ami…

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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)	4.34	9.68	-130.75	1	8	-2	128	405.362	8	↓ MOL2 SDF SMILES Flexibase

13422091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(5-chloro-2-phenoxy-phenyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[(5-chloro-2-phenoxy-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)	4.99	10.19	-129.89	1	8	-2	128	439.807	8	↓ MOL2 SDF SMILES Flexibase

13422830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-chloro-2-(4-ethoxyphenoxy)phenyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[5-chloro-2-(4-ethoxypheno…

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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)	5.42	10.4	-130.22	1	9	-2	137	483.86	10	↓ MOL2 SDF SMILES Flexibase

13422856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[[5-chloro-2-(4-methylphenoxy)phenyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[5-chloro-2-(4-methylpheno…

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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)	5.44	10.87	-129.98	1	8	-2	128	453.834	8	↓ MOL2 SDF SMILES Flexibase

13422943

Analogs

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Popular Name: 3,5-dichloro-4-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]benzoic 3,5-dichloro-4-[2-oxo-2-[(2-phen…

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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)	5.63	10.75	-46.78	1	6	-1	88	431.251	7	↓ MOL2 SDF SMILES Flexibase

14244252

Analogs

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Popular Name: 4-methoxy-2-[2-oxo-2-[(2-phenoxyphenyl)amino]ethoxy]benzamide 4-methoxy-2-[2-oxo-2-[(2-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)	3.86	7.04	-21.75	3	7	0	100	392.411	8	↓ MOL2 SDF SMILES Flexibase

14250379

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)	4.94	10.86	-17.04	1	7	0	83	441.867	9	↓ MOL2 SDF SMILES Flexibase

3403755

Analogs

11867892

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-acetyl-2-methoxy-phenoxy)-N-(2-phenoxyphenyl)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)	3.99	1.93	-19.38	1	6	0	73	391.423	8	↓ MOL2 SDF SMILES Flexibase

3403997

Analogs

6541047
21759292

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-methoxy-phenoxy)-N-(2-phenoxyphenyl)acetamide 2-(4-cyano-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)	3.85	2.82	-16.38	1	6	0	80	374.396	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3350
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 = 3350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3350&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": "3350"        

    });
</script>

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