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ZINC Item

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747861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzamido-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-benzamido-N-isobutyl-2-[4-(2-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)	4.77	10.08	-19.63	2	7	0	74	486.616	8	↓ MOL2 SDF SMILES Flexibase

747862

Analogs

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Popular Name: 5-[(4-fluorobenzoyl)amino]-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(4-fluorobenzoyl)amino]-N-iso…

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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	10.15	-19.76	2	7	0	74	504.606	8	↓ MOL2 SDF SMILES Flexibase

747863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]-5-(p-anisoylamino)benzamide N-isobutyl-2-[4-(2-methoxyphenyl…

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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)	4.83	9.42	-20.88	2	8	0	83	516.642	9	↓ MOL2 SDF SMILES Flexibase

747864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chlorobenzoyl)amino]-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(2-chlorobenzoyl)amino]-N-iso…

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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)	5.40	-2.87	-17.63	2	7	0	73	521.061	8	↓ MOL2 SDF SMILES Flexibase

747865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chlorobenzoyl)amino]-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(4-chlorobenzoyl)amino]-N-iso…

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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)	5.45	10.6	-19.26	2	7	0	74	521.061	8	↓ MOL2 SDF SMILES Flexibase

747867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]-5-(p-toluoylamino)benzamide N-isobutyl-2-[4-(2-methoxyphenyl…

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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	10.74	-19.47	2	7	0	74	500.643	8	↓ MOL2 SDF SMILES Flexibase

747875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]-5-(o-toluoylamino)benzamide N-isobutyl-2-[4-(2-methoxyphenyl…

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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	10.94	-18.88	2	7	0	74	500.643	8	↓ MOL2 SDF SMILES Flexibase

747879

Analogs

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Popular Name: 5-[(3-fluorobenzoyl)amino]-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(3-fluorobenzoyl)amino]-N-iso…

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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)	4.91	-2.02	-14.35	2	7	0	73	504.606	8	↓ MOL2 SDF SMILES Flexibase

747888

Analogs

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Popular Name: N-isobutyl-5-(m-anisoylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide N-isobutyl-5-(m-anisoylamino)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.80	9.56	-22.74	2	8	0	83	516.642	9	↓ MOL2 SDF SMILES Flexibase

747889

Analogs

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Popular Name: 5-[(4-ethylbenzoyl)amino]-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(4-ethylbenzoyl)amino]-N-isob…

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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	-2.47	-15.4	2	7	0	73	514.67	9	↓ MOL2 SDF SMILES Flexibase

747894

Analogs

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Popular Name: N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]-5-(o-anisoylamino)benzamide N-isobutyl-2-[4-(2-methoxyphenyl…

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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)	5.33	-2.08	-18.75	2	8	0	83	516.642	9	↓ MOL2 SDF SMILES Flexibase

747896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-chlorobenzoyl)amino]-N-isobutyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(3-chlorobenzoyl)amino]-N-iso…

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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	-2.9	-14.11	2	7	0	73	521.061	8	↓ MOL2 SDF SMILES Flexibase

747902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-benzamido-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-benzamido-N-isopropyl-2-[4-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.32	11.87	-15.35	2	7	0	74	472.589	7	↓ MOL2 SDF SMILES Flexibase

747903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-fluorobenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(4-fluorobenzoyl)amino]-N-iso…

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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)	4.49	9.46	-20.11	2	7	0	74	490.579	7	↓ MOL2 SDF SMILES Flexibase

747904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chlorobenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(2-chlorobenzoyl)amino]-N-iso…

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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	10.06	-21.89	2	7	0	74	507.034	7	↓ MOL2 SDF SMILES Flexibase

747905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-chlorobenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(4-chlorobenzoyl)amino]-N-iso…

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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	9.91	-19.61	2	7	0	74	507.034	7	↓ MOL2 SDF SMILES Flexibase

747907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]-5-[(3-nitrobenzoyl)amino]benzamide N-isopropyl-2-[4-(2-methoxypheny…

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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)	4.26	-2.31	-24.35	2	10	0	119	517.586	8	↓ MOL2 SDF SMILES Flexibase

747908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]-5-(p-toluoylamino)benzamide N-isopropyl-2-[4-(2-methoxypheny…

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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	10.05	-19.84	2	7	0	74	486.616	7	↓ MOL2 SDF SMILES Flexibase

747911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]-5-(o-toluoylamino)benzamide N-isopropyl-2-[4-(2-methoxypheny…

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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)	4.72	10.25	-19.24	2	7	0	74	486.616	7	↓ MOL2 SDF SMILES Flexibase

747917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-fluorobenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(2-fluorobenzoyl)amino]-N-iso…

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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)	4.44	9.63	-24.52	2	7	0	74	490.579	7	↓ MOL2 SDF SMILES Flexibase

747918

Analogs

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Popular Name: 5-[(3,5-dimethoxybenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(3,5-dimethoxybenzoyl)amino]-…

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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	8.04	-20.95	2	9	0	92	532.641	9	↓ MOL2 SDF SMILES Flexibase

747919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-fluorobenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(3-fluorobenzoyl)amino]-N-iso…

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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)	4.46	9.62	-18.12	2	7	0	74	490.579	7	↓ MOL2 SDF SMILES Flexibase

747927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,4-dimethoxybenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(2,4-dimethoxybenzoyl)amino]-…

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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)	4.91	9.34	-24.1	2	9	0	92	532.641	9	↓ MOL2 SDF SMILES Flexibase

747929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(isopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]-4-methyl-3-nitro-benzamide N-[3-(isopropylcarbamoyl)-4-[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)	4.66	10.74	-29.26	2	10	0	120	531.613	8	↓ MOL2 SDF SMILES Flexibase

747931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-5-(m-anisoylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide N-isopropyl-5-(m-anisoylamino)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	8.87	-23.12	2	8	0	83	502.615	8	↓ MOL2 SDF SMILES Flexibase

747932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-ethylbenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(4-ethylbenzoyl)amino]-N-isop…

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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	10.82	-19.59	2	7	0	74	500.643	8	↓ MOL2 SDF SMILES Flexibase

747937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-chlorobenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(3-chlorobenzoyl)amino]-N-iso…

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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	12.38	-16.72	2	7	0	74	507.034	7	↓ MOL2 SDF SMILES Flexibase

747940

Analogs

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Popular Name: 5-[(2,6-dimethoxybenzoyl)amino]-N-isopropyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(2,6-dimethoxybenzoyl)amino]-…

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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	-2.94	-19.35	2	9	0	92	532.641	9	↓ MOL2 SDF SMILES Flexibase

749799

Analogs

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Popular Name: 5-benzamido-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-benzamido-N,N-diethyl-2-[4-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	10.32	-17.13	1	7	0	65	486.616	8	↓ MOL2 SDF SMILES Flexibase

749800

Analogs

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Popular Name: N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]-5-(p-anisoylamino)benzamide N,N-diethyl-2-[4-(2-methoxypheny…

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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)	4.23	9.65	-18.27	1	8	0	74	516.642	9	↓ MOL2 SDF SMILES Flexibase

749801

Analogs

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Popular Name: 5-[(2-chlorobenzoyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(2-chlorobenzoyl)amino]-N,N-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.81	10.91	-22.92	1	7	0	65	521.061	8	↓ MOL2 SDF SMILES Flexibase

749804

Analogs

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Popular Name: N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]-5-[(3-nitrobenzoyl)amino]benzamide N,N-diethyl-2-[4-(2-methoxypheny…

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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	-1.83	-27.21	1	10	0	110	531.613	9	↓ MOL2 SDF SMILES Flexibase

749817

Analogs

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Popular Name: N,N-diethyl-5-[(2-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]benzamide N,N-diethyl-5-[(2-fluorobenzoyl)…

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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)	4.29	10.49	-25.7	1	7	0	65	504.606	8	↓ MOL2 SDF SMILES Flexibase

749819

Analogs

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Popular Name: N,N-diethyl-5-[(3-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]benzamide N,N-diethyl-5-[(3-fluorobenzoyl)…

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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	10.47	-19.05	1	7	0	65	504.606	8	↓ MOL2 SDF SMILES Flexibase

749828

Analogs

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Popular Name: N,N-diethyl-5-(m-anisoylamino)-2-[4-(2-methoxyphenyl)piperazino]benzamide N,N-diethyl-5-(m-anisoylamino)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	-2.33	-21.91	1	8	0	74	516.642	9	↓ MOL2 SDF SMILES Flexibase

749829

Analogs

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Popular Name: N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]benzamide N,N-diethyl-5-[(4-ethylbenzoyl)a…

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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	11.76	-16.75	1	7	0	65	514.67	9	↓ MOL2 SDF SMILES Flexibase

749837

Analogs

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Popular Name: N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]-5-(o-anisoylamino)benzamide N,N-diethyl-2-[4-(2-methoxypheny…

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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	10.89	-24.07	1	8	0	74	516.642	9	↓ MOL2 SDF SMILES Flexibase

749838

Analogs

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Popular Name: 5-[(3-chlorobenzoyl)amino]-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazino]benzamide 5-[(3-chlorobenzoyl)amino]-N,N-d…

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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)	4.83	10.92	-18.72	1	7	0	65	521.061	8	↓ MOL2 SDF SMILES Flexibase

35252764

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-methylpropyl]-5-[(4-nitrobenzoyl)amino]benzamide 2-[4-(2-methoxyphenyl)piperazin-…

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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)	4.82	13.54	-18.12	2	10	0	120	531.613	9	↓ MOL2 SDF SMILES Flexibase

35252766

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-methylpropyl]-5-[(4-nitrobenzoyl)amino]benzamide 2-[4-(2-methoxyphenyl)piperazin-…

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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)	4.82	13.54	-18.08	2	10	0	120	531.613	9	↓ MOL2 SDF SMILES Flexibase

22755638

Analogs

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Popular Name: N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-methyl-benzamide N-[3-chloro-4-[4-(2,3,4,5,6-pent…

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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)	6.06	13.65	-10.45	1	4	0	36	495.879	4	↓ MOL2 SDF SMILES Flexibase

22755642

Analogs

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Popular Name: N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-4-methyl-benzamide N-[3-chloro-4-[4-(2,3,4,5,6-pent…

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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	13.66	-11.31	1	4	0	36	495.879	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 731
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 = 731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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