ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

10506674

Analogs

9880083

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-([1,1'-biphenyl]-4-yloxy)-N-[2-(2-ethoxyethoxy)phenyl]- acetamide, 2-([1,1'-biphenyl]-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)	4.87	0.52	-13.83	1	5	0	56	391.467	10	↓ MOL2 SDF SMILES Flexibase

10506809

Analogs

10506814
9880235
9880240

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-([1,1'-biphenyl]-4-yloxy)-N-[2-(2-ethoxyethoxy)phenyl]- propanamide, 2-([1,1'-biphenyl]-…

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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)	5.23	0.83	-13.68	1	5	0	56	405.494	10	↓ MOL2 SDF SMILES Flexibase

10506814

Analogs

9880235
9880240
10506809

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-([1,1'-biphenyl]-4-yloxy)-N-[2-(2-ethoxyethoxy)phenyl]- propanamide, 2-([1,1'-biphenyl]-…

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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)	5.23	0.91	-13.64	1	5	0	56	405.494	10	↓ MOL2 SDF SMILES Flexibase

10506891

Analogs

9880310

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-[(3-bromo[1,1'-biphenyl]-4-yl)oxy]-N-[2-(2-ethoxyethoxy)phenyl]- acetamide, 2-[(3-bromo[1,1'-biph…

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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)	5.61	-0.17	-15.28	1	5	0	56	470.363	10	↓ MOL2 SDF SMILES Flexibase

10507049

Analogs

10507057
9880420
9880423

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-([1,1'-biphenyl]-4-yloxy)-N-[2-(2-ethoxyethoxy)phenyl]- butanamide, 2-([1,1'-biphenyl]-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)	5.73	0.96	-13.24	1	5	0	56	419.521	11	↓ MOL2 SDF SMILES Flexibase

10507057

Analogs

9880420
9880423
10507049

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-([1,1'-biphenyl]-4-yloxy)-N-[2-(2-ethoxyethoxy)phenyl]- butanamide, 2-([1,1'-biphenyl]-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)	5.73	0.89	-13.21	1	5	0	56	419.521	11	↓ MOL2 SDF SMILES Flexibase

30831627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxobutyl]amino]-N,N-dimethyl- benzeneacetamide, 4-[[2-([1,1'-b…

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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)	4.55	12.52	-21.86	1	5	0	59	416.521	8	↓ MOL2 SDF SMILES Flexibase

30831629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetamide, 4-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxobutyl]amino]-N,N-dimethyl- benzeneacetamide, 4-[[2-([1,1'-b…

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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)	4.55	12.54	-21.92	1	5	0	59	416.521	8	↓ MOL2 SDF SMILES Flexibase

20120069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxopropyl]amino]-N-methyl- benzamide, 4-[[2-([1,1'-biphenyl…

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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	9.25	-20.68	2	5	0	67	374.44	6	↓ MOL2 SDF SMILES Flexibase

20120070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxopropyl]amino]-N-methyl- benzamide, 4-[[2-([1,1'-biphenyl…

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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	9.28	-20.62	2	5	0	67	374.44	6	↓ MOL2 SDF SMILES Flexibase

20120085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[[(3-bromo[1,1'-biphenyl]-4-yl)oxy]acetyl]amino]-N-methyl- benzamide, 4-[[[(3-bromo[1,1'-bi…

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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)	4.52	9.3	-29.3	2	5	0	67	439.309	6	↓ MOL2 SDF SMILES Flexibase

20120113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxobutyl]amino]-N-methyl- benzamide, 4-[[2-([1,1'-biphenyl…

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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	9.8	-20.47	2	5	0	67	388.467	7	↓ MOL2 SDF SMILES Flexibase

20120114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 4-[[2-([1,1'-biphenyl]-4-yloxy)-1-oxobutyl]amino]-N-methyl- benzamide, 4-[[2-([1,1'-biphenyl…

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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	9.84	-20.33	2	5	0	67	388.467	7	↓ MOL2 SDF SMILES Flexibase

36754519

Analogs

36754521

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,5-dimethoxyphenyl)-2-(4-phenylphenoxy)propanamide (2S)-N-(3,5-dimethoxyphenyl)-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)	5.00	9.61	-16.41	1	5	0	57	377.44	7	↓ MOL2 SDF SMILES Flexibase

36754521

Analogs

36754519

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,5-dimethoxyphenyl)-2-(4-phenylphenoxy)propanamide (2R)-N-(3,5-dimethoxyphenyl)-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)	5.00	9.58	-16.23	1	5	0	57	377.44	7	↓ MOL2 SDF SMILES Flexibase

13258425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]benzoyl]amino]acetic 2-[[4-[[2-(2-chloro-4-phenyl-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)	2.73	9.18	-58.05	2	7	-1	108	437.859	8	↓ MOL2 SDF SMILES Flexibase

13258645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]-4-methyl-benzoic 3-[[2-(2-chloro-4-phenyl-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)	5.49	11.39	-75.56	1	5	-1	78	394.834	6	↓ MOL2 SDF SMILES Flexibase

13259517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]benzoic 3-[[2-(2-chloro-4-phenyl-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)	5.09	10.56	-74.87	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

13259733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]benzoic 4-[[2-(2-chloro-4-phenyl-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)	5.11	10.58	-64.89	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

13260957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]-4,5-dimethoxy-benzoic 2-[[2-(2-chloro-4-phenyl-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)	4.87	10.07	-49.25	1	7	-1	97	440.859	8	↓ MOL2 SDF SMILES Flexibase

13261174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]-2-methoxy-benzoic 5-chloro-4-[[2-(2-chloro-4-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)	5.78	11.23	-62.02	1	6	-1	88	445.278	7	↓ MOL2 SDF SMILES Flexibase

13261398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]benzoic 2-[[2-(2-chloro-4-phenyl-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)	5.24	10.83	-50.28	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

13273613

Analogs

13168795

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[4-(4-carboxyphenyl)phenoxy]acetyl]amino]-4,5-dimethoxy-benzoic 2-[[2-[4-(4-carboxyphenyl)phenox…

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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)	4.17	9.24	-102.05	1	9	-2	137	449.415	9	↓ MOL2 SDF SMILES Flexibase

13273614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[4-(4-carboxyphenyl)phenoxy]acetyl]amino]-5-chloro-2-methoxy-benzoic 4-[[2-[4-(4-carboxyphenyl)phenox…

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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	10.34	-111.7	1	8	-2	128	453.834	8	↓ MOL2 SDF SMILES Flexibase

13273615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[2-[[4-(carboxymethyl)phenyl]amino]-2-oxo-ethoxy]phenyl]benzoic 4-[4-[2-[[4-(carboxymethyl)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)	3.93	10.47	-109.79	1	7	-2	119	403.39	8	↓ MOL2 SDF SMILES Flexibase

13273616

Analogs

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Popular Name: 2-[[2-[4-(4-carboxyphenyl)phenoxy]acetyl]amino]-5-chloro-benzoic 2-[[2-[4-(4-carboxyphenyl)phenox…

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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)	5.20	10.45	-98.68	1	7	-2	119	423.808	7	↓ MOL2 SDF SMILES Flexibase

13273617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[4-(4-carboxyphenyl)phenoxy]acetyl]amino]-3-methyl-benzoic 2-[[2-[4-(4-carboxyphenyl)phenox…

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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)	4.01	10.74	-107.17	1	7	-2	119	403.39	7	↓ MOL2 SDF SMILES Flexibase

13273618

Analogs

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Popular Name: 2-[[2-[4-(4-carboxyphenyl)phenoxy]acetyl]amino]-4-fluoro-benzoic 2-[[2-[4-(4-carboxyphenyl)phenox…

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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)	4.69	10.08	-98.32	1	7	-2	119	407.353	7	↓ MOL2 SDF SMILES Flexibase

13404397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(2-chloro-4-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)	5.17	11.79	-66.25	1	5	-1	78	406.845	7	↓ MOL2 SDF SMILES Flexibase

13426038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]benzoic 4-chloro-3-[[2-(2-chloro-4-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)	5.72	11.19	-65.24	1	5	-1	78	415.252	6	↓ MOL2 SDF SMILES Flexibase

13426351

Analogs

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Popular Name: 5-[[2-(2-chloro-4-phenyl-phenoxy)acetyl]amino]benzene-1,3-dicarboxylic 5-[[2-(2-chloro-4-phenyl-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)	4.95	10.19	-128.99	1	7	-2	119	423.808	7	↓ MOL2 SDF SMILES Flexibase

945177

Analogs

4201691
5746746
5753413
6242619
33591940

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzoic-acid-ethyl-ester 4-[[2-[4-(p-tolyl)phenoxy]acetyl…

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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)	5.59	2.4	-16.25	1	5	0	64	389.451	8	↓ MOL2 SDF SMILES Flexibase

945314

Analogs

4037694
5753391

Draw Identity 99% 90% 80% 70%

Popular Name: N-o-cumenyl-2-[4-(p-tolyl)phenoxy]acetamide N-o-cumenyl-2-[4-(p-tolyl)phenox…

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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)	6.03	2.41	-13.2	1	3	0	38	359.469	6	↓ MOL2 SDF SMILES Flexibase

945315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-o-phenetyl-2-[4-(p-tolyl)phenoxy]acetamide N-o-phenetyl-2-[4-(p-tolyl)pheno…

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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)	5.43	1.45	-12.69	1	4	0	47	361.441	7	↓ MOL2 SDF SMILES Flexibase

945316

Analogs

4201529

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(2,5-dimethoxyphenyl)-2-[4-(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)	5.08	1.44	-15.94	1	5	0	56	377.44	7	↓ MOL2 SDF SMILES Flexibase

945317

Analogs

5753413
6242619

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzoic-acid-methyl-ester 4-[[2-[4-(p-tolyl)phenoxy]acetyl…

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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)	5.21	2.43	-16.39	1	5	0	64	375.424	7	↓ MOL2 SDF SMILES Flexibase

945318

Analogs

636885

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzoic-acid-methyl-ester 3-[[2-[4-(p-tolyl)phenoxy]acetyl…

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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)	5.19	2.44	-21.92	1	5	0	64	375.424	7	↓ MOL2 SDF SMILES Flexibase

945319

Analogs

6242630

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzoic-acid-methyl-ester 2-[[2-[4-(p-tolyl)phenoxy]acetyl…

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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)	5.34	2.84	-12.36	1	5	0	64	375.424	7	↓ MOL2 SDF SMILES Flexibase

945320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[4-(p-tolyl)phenoxy]acetyl]amino]benzamide 2-[[2-[4-(p-tolyl)phenoxy]acetyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	-0.97	-15.35	3	5	0	81	360.413	6	↓ MOL2 SDF SMILES Flexibase

945322

Analogs

6409274

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(2-chlorophenyl)-2-[4-(p-tolyl…

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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)	5.67	1.32	-11.41	1	3	0	38	351.833	5	↓ MOL2 SDF SMILES Flexibase

945323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(2-bromo-4-methyl-phenyl)-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)	6.23	1.08	-10.95	1	3	0	38	410.311	5	↓ MOL2 SDF SMILES Flexibase

945324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(4-chloro-2,5-dimethoxy-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)	5.69	1.34	-13.54	1	5	0	56	411.885	7	↓ MOL2 SDF SMILES Flexibase

945325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(5-chloro-2-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)	6.10	1.69	-15.08	1	3	0	38	365.86	5	↓ MOL2 SDF SMILES Flexibase

945326

Analogs

6405782
6409339
33586392

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-nitrophenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(3-nitrophenyl)-2-[4-(p-tolyl)…

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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)	4.98	1.82	-22.78	1	6	0	84	362.385	6	↓ MOL2 SDF SMILES Flexibase

945327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-[4-(p-tolyl)phenoxy]acetamide N-(3-acetylphenyl)-2-[4-(p-tolyl…

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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)	4.92	1.79	-22.83	1	4	0	55	359.425	6	↓ MOL2 SDF SMILES Flexibase

949310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-([1,1'-biphenyl]-4-yloxy)-N-(2-bromo-4-methylphenyl)- acetamide, 2-([1,1'-biphenyl]-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)	5.78	0.77	-11.14	1	3	0	38	396.284	5	↓ MOL2 SDF SMILES Flexibase

52413865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-phenylphenoxy)-N-(3-sulfamoylphenyl)propanamide (2S)-2-(4-phenylphenoxy)-N-(3-su…

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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	5.95	-22.08	3	6	0	98	396.468	6	↓ MOL2 SDF SMILES Flexibase

52413867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-phenylphenoxy)-N-(3-sulfamoylphenyl)propanamide (2R)-2-(4-phenylphenoxy)-N-(3-su…

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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	5.92	-21.94	3	6	0	98	396.468	6	↓ MOL2 SDF SMILES Flexibase

1787243

Analogs

40913032
40913033

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-([1,1'-biphenyl]-4-yloxy)-N-(2-ethyl-6-methylphenyl)- propanamide, 2-([1,1'-biphenyl]-…

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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)	5.29	2.26	-12.69	1	3	0	38	359.469	6	↓ MOL2 SDF SMILES Flexibase

1787244

Analogs

40913032
40913033

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-([1,1'-biphenyl]-4-yloxy)-N-(2-ethyl-6-methylphenyl)- propanamide, 2-([1,1'-biphenyl]-…

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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)	5.29	2.47	-12.19	1	3	0	38	359.469	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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