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ZINC Item

Suppliers, Protomers, & Similar Substances

10506873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[2-(2-ethoxyethoxy)phenyl]-4-(phenylmethoxy)- benzamide, N-[2-(2-ethoxyethoxy)…

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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)	4.75	0.18	-11.49	1	5	0	56	391.467	10	↓ MOL2 SDF SMILES Flexibase

29143754

Analogs

8166071

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyloxy-3-methoxy-N-[3-(methoxymethyl)phenyl]benzamide 4-benzyloxy-3-methoxy-N-[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)	4.00	9.41	-16.03	1	5	0	57	377.44	8	↓ MOL2 SDF SMILES Flexibase

33219102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3,5-dichloro-phenyl)-4-[(2-cyanophenyl)methoxy]benzamide N-(4-amino-3,5-dichloro-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)	4.88	9.2	-13.12	3	5	0	88	412.276	5	↓ MOL2 SDF SMILES Flexibase

11798066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-(o-tolylcarbamoyl)phenoxy]methyl]phenyl]acetic 2-[4-[[4-(o-tolylcarbamoyl)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)	4.31	1.02	-53.76	1	5	-1	78	374.416	7	↓ MOL2 SDF SMILES Flexibase

11799600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(2-methoxyphenyl)carbamoyl]phenoxy]methyl]benzoic 4-[[4-[(2-methoxyphenyl)carbamoy…

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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	0.36	-58.08	1	6	-1	88	376.388	7	↓ MOL2 SDF SMILES Flexibase

11799784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]methyl]benzoic 4-[[4-[(2,4-dimethylphenyl)carba…

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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)	5.22	1.09	-58.45	1	5	-1	78	374.416	6	↓ MOL2 SDF SMILES Flexibase

11799866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]phenoxy]methyl]benzoic 3-[[4-[(4-methoxyphenyl)carbamoy…

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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)	4.42	0.24	-60.86	1	6	-1	88	376.388	7	↓ MOL2 SDF SMILES Flexibase

11800049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]methyl]benzoic 4-[[4-[(2,5-dimethylphenyl)carba…

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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)	5.22	1.09	-58.52	1	5	-1	78	374.416	6	↓ MOL2 SDF SMILES Flexibase

11800385

Analogs

11828995
11829003

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2-phenyl-acetic (2R)-2-[4-[(2-methoxyphenyl)carb…

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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)	3.72	0.85	-57.06	1	6	-1	88	376.388	7	↓ MOL2 SDF SMILES Flexibase

11800387

Analogs

11828995
11829003

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2-phenyl-acetic (2S)-2-[4-[(2-methoxyphenyl)carb…

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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)	3.72	0.89	-57.31	1	6	-1	88	376.388	7	↓ MOL2 SDF SMILES Flexibase

11800854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-[(4-fluorophenyl)carbamoyl]phenoxy]methyl]phenyl]acetic 2-[4-[[4-[(4-fluorophenyl)carbam…

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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	1.21	-53.73	1	5	-1	78	378.379	7	↓ MOL2 SDF SMILES Flexibase

11801264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic 4-[[4-[(2-chlorophenyl)carbamoyl…

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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)	5.02	0.25	-56.25	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

11801434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic 2-[[4-[(4-chlorophenyl)carbamoyl…

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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)	4.68	0.04	-50.49	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

11801678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]-2-phenyl-acetic (2S)-2-[4-[(2-chlorophenyl)carba…

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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	0.78	-54.51	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

11801680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-chlorophenyl)carbamoyl]phenoxy]-2-phenyl-acetic (2R)-2-[4-[(2-chlorophenyl)carba…

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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	0.75	-54.16	1	5	-1	78	380.807	6	↓ MOL2 SDF SMILES Flexibase

11823465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(p-tolylcarbamoyl)phenoxy]methyl]benzoic 2-[[4-(p-tolylcarbamoyl)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)	4.45	0.51	-51.81	1	5	-1	78	360.389	6	↓ MOL2 SDF SMILES Flexibase

11824698

Analogs

11824701

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-[4-(p-tolylcarbamoyl)phenoxy]acetic (2R)-2-phenyl-2-[4-(p-tolylcarba…

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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)	4.16	1.05	-57.23	1	5	-1	78	360.389	6	↓ MOL2 SDF SMILES Flexibase

11824701

Analogs

11824698

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-[4-(p-tolylcarbamoyl)phenoxy]acetic (2S)-2-phenyl-2-[4-(p-tolylcarba…

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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)	4.16	0.99	-57.55	1	5	-1	78	360.389	6	↓ MOL2 SDF SMILES Flexibase

11824998

Analogs

11995030

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]methyl]phenyl]acetic 2-[4-[[4-[(2,3-dimethylphenyl)ca…

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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)	4.71	1.25	-53.94	1	5	-1	78	388.443	7	↓ MOL2 SDF SMILES Flexibase

11825431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]methyl]benzoic 4-[[4-[(2-ethoxyphenyl)carbamoyl…

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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)	4.78	0.38	-57.75	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

11825523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-[(2-ethylphenyl)carbamoyl]phenoxy]methyl]phenyl]acetic 2-[4-[[4-[(2-ethylphenyl)carbamo…

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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)	4.77	1.24	-53.22	1	5	-1	78	388.443	8	↓ MOL2 SDF SMILES Flexibase

11826443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]methyl]benzoic 3-[[4-[(2-ethoxyphenyl)carbamoyl…

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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)	4.75	0.37	-59.01	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

11827005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]methyl]benzoic 2-[[4-[(2-ethoxyphenyl)carbamoyl…

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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	0.36	-52.7	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

11828995

Analogs

11829003
11800385
11800387

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]-2-phenyl-acetic (2R)-2-[4-[(2-ethoxyphenyl)carba…

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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)	4.10	0.87	-56.78	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

11829003

Analogs

11828995
11800385
11800387

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]-2-phenyl-acetic (2S)-2-[4-[(2-ethoxyphenyl)carba…

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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)	4.10	0.91	-57.05	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

11829506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-[(2-methoxyphenyl)carbamoyl]phenoxy]methyl]phenyl]acetic 2-[4-[[4-[(2-methoxyphenyl)carba…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	0.61	-53.67	1	6	-1	88	390.415	8	↓ MOL2 SDF SMILES Flexibase

11832420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(4-fluorophenyl)carbamoyl]phenoxy]methyl]benzoic 2-[[4-[(4-fluorophenyl)carbamoyl…

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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	0.93	-50.8	1	5	-1	78	364.352	6	↓ MOL2 SDF SMILES Flexibase

11833466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(3-chloro-2-methyl-phenyl)carbamoyl]phenoxy]methyl]benzoic 4-[[4-[(3-chloro-2-methyl-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)	5.42	0.61	-56.91	1	5	-1	78	394.834	6	↓ MOL2 SDF SMILES Flexibase

11833814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(4-chloro-2-methyl-phenyl)carbamoyl]phenoxy]methyl]benzoic 2-[[4-[(4-chloro-2-methyl-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)	5.06	0.62	-50.01	1	5	-1	78	394.834	6	↓ MOL2 SDF SMILES Flexibase

11994555

Analogs

11994556

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(o-tolylcarbamoyl)phenoxy]-2-phenyl-acetic (2R)-2-[4-(o-tolylcarbamoyl)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)	4.11	1.29	-56.97	1	5	-1	78	360.389	6	↓ MOL2 SDF SMILES Flexibase

11994556

Analogs

11994555

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(o-tolylcarbamoyl)phenoxy]-2-phenyl-acetic (2S)-2-[4-(o-tolylcarbamoyl)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)	4.11	1.33	-57.02	1	5	-1	78	360.389	6	↓ MOL2 SDF SMILES Flexibase

11994893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]methyl]phenyl]acetic 2-[4-[[4-[(2,4-dimethylphenyl)ca…

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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)	4.73	1.34	-53.86	1	5	-1	78	388.443	7	↓ MOL2 SDF SMILES Flexibase

11995030

Analogs

11824998

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]methyl]phenyl]acetic 2-[4-[[4-[(2,5-dimethylphenyl)ca…

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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)	4.73	1.34	-53.92	1	5	-1	78	388.443	7	↓ MOL2 SDF SMILES Flexibase

12038456

Analogs

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Popular Name: 4-benzyloxy-3-methoxy-N-(4-methylsulfanylphenyl)-benzamide 4-benzyloxy-3-methoxy-N-(4-methy…

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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)	4.50	0.61	-14.27	1	4	0	48	379.481	7	↓ MOL2 SDF SMILES Flexibase

13258465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]benzoyl]amino]acetic 2-[[4-[(4-benzyloxy-3,5-dimethox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	7.88	-54.53	2	9	-1	126	463.466	10	↓ MOL2 SDF SMILES Flexibase

13258706

Analogs

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Popular Name: 3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-4-methyl-benzoic 3-[(4-benzyloxy-3,5-dimethoxy-be…

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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	10.12	-67.96	1	7	-1	97	420.441	8	↓ MOL2 SDF SMILES Flexibase

13259577

Analogs

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Popular Name: 3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]benzoic 3-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	3.94	9.26	-67.04	1	7	-1	97	406.414	8	↓ MOL2 SDF SMILES Flexibase

13259793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]benzoic 4-[(4-benzyloxy-3,5-dimethoxy-be…

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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	9.31	-58.12	1	7	-1	97	406.414	8	↓ MOL2 SDF SMILES Flexibase

13260276

Analogs

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Popular Name: 2-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-5-chloro-benzoic 2-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.75	10.08	-46.13	1	7	-1	97	440.859	8	↓ MOL2 SDF SMILES Flexibase

13260471

Analogs

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Popular Name: 2-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-5-bromo-benzoic 2-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.88	10.19	-46.1	1	7	-1	97	485.31	8	↓ MOL2 SDF SMILES Flexibase

13261021

Analogs

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Popular Name: 2-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-4,5-dimethoxy-benzoic 2-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	3.72	8.87	-49.06	1	9	-1	115	466.466	10	↓ MOL2 SDF SMILES Flexibase

13261235

Analogs

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Popular Name: 4-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-5-chloro-2-methoxy-benzoic 4-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.64	10.01	-57.1	1	8	-1	106	470.885	9	↓ MOL2 SDF SMILES Flexibase

13261458

Analogs

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Popular Name: 2-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]benzoic 2-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.10	9.64	-50.47	1	7	-1	97	406.414	8	↓ MOL2 SDF SMILES Flexibase

23003510

Analogs

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Popular Name: N-(5-acetamido-2-fluoro-phenyl)-4-benzyloxy-3,5-dimethoxy-benzamide N-(5-acetamido-2-fluoro-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)	3.37	8.65	-16.83	2	7	0	86	438.455	8	↓ MOL2 SDF SMILES Flexibase

13404525

Analogs

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Popular Name: (E)-3-[4-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]phenyl]prop-2-enoic (E)-3-[4-[(4-benzyloxy-3,5-dimet…

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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)	4.03	10.51	-58.69	1	7	-1	97	432.452	9	↓ MOL2 SDF SMILES Flexibase

13425853

Analogs

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Popular Name: 2-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-4-chloro-benzoic 2-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.75	10.09	-45.24	1	7	-1	97	440.859	8	↓ MOL2 SDF SMILES Flexibase

13426112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-4-chloro-benzoic 3-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.57	9.92	-58.4	1	7	-1	97	440.859	8	↓ MOL2 SDF SMILES Flexibase

13426405

Analogs

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Popular Name: 5-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]benzene-1,3-dicarboxylic 5-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	3.80	8.88	-120.9	1	9	-2	137	449.415	9	↓ MOL2 SDF SMILES Flexibase

13428588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-4-fluoro-benzoic 2-[(4-benzyloxy-3,5-dimethoxy-be…

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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)	4.24	9.64	-44.73	1	7	-1	97	424.404	8	↓ MOL2 SDF SMILES Flexibase

13684780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-isopropyl-benzamide 2-[[4-[(2-chlorophenyl)methoxy]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)	4.93	10.84	-12.1	2	5	0	67	422.912	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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