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ZINC Item

Suppliers, Protomers, & Similar Substances

53662427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-(3-furylmethyl)-N-methyl-benzamide 3-(2-aminoethyl)-N-(3-furylmethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.21	5.17	-50.11	3	4	1	61	259.329	5	↓ MOL2 SDF SMILES Flexibase

53662429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 3-(2-aminoethyl)-N-methyl-N-[(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)	0.43	5.9	-59.75	3	4	0	61	273.356	5	↓ MOL2 SDF SMILES Flexibase

53662894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]benzamide 3-(2-aminoethyl)-N-[(1R)-1-(2,5-…

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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)	1.44	5.79	-50.99	4	4	1	70	287.383	5	↓ MOL2 SDF SMILES Flexibase

53662895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]benzamide 3-(2-aminoethyl)-N-[(1S)-1-(2,5-…

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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)	1.44	5.81	-51.07	4	4	1	70	287.383	5	↓ MOL2 SDF SMILES Flexibase

54416517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-(3-furylmethyl)-N-methyl-4-nitro-benzamide 3-fluoro-N-(3-furylmethyl)-N-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	7.09	-14.02	0	6	0	79	278.239	4	↓ MOL2 SDF SMILES Flexibase

54416518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-methyl-N-[(2-methyl-3-furyl)methyl]-4-nitro-benzamide 3-fluoro-N-methyl-N-[(2-methyl-3…

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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)	1.52	7.83	-13.6	0	6	0	79	292.266	4	↓ MOL2 SDF SMILES Flexibase

58316669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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)	1.73	4.92	-17.05	1	7	0	89	366.439	6	↓ MOL2 SDF SMILES Flexibase

58316672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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)	1.73	4.93	-17.24	1	7	0	89	366.439	6	↓ MOL2 SDF SMILES Flexibase

62820167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-(3-furylmethyl)-N-methyl-benzamide 2-(ethylamino)-N-(3-furylmethyl)…

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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)	1.44	6.2	-10.1	1	4	0	45	258.321	5	↓ MOL2 SDF SMILES Flexibase

62820168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-furylmethyl)-N-methyl-2-(propylamino)benzamide N-(3-furylmethyl)-N-methyl-2-(pr…

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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)	1.94	6.96	-9.86	1	4	0	45	272.348	6	↓ MOL2 SDF SMILES Flexibase

62820169

Analogs

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Popular Name: N-(3-furylmethyl)-2-(isopropylamino)-N-methyl-benzamide N-(3-furylmethyl)-2-(isopropylam…

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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)	2.40	6.86	-9.77	1	4	0	45	272.348	5	↓ MOL2 SDF SMILES Flexibase

62820170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 2-(ethylamino)-N-methyl-N-[(2-me…

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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)	1.66	6.77	-10.4	1	4	0	45	272.348	5	↓ MOL2 SDF SMILES Flexibase

62820171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]-2-(propylamino)benzamide N-methyl-N-[(2-methyl-3-furyl)me…

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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)	2.16	7.54	-10.19	1	4	0	45	286.375	6	↓ MOL2 SDF SMILES Flexibase

62820172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylamino)-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 2-(isopropylamino)-N-methyl-N-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	7.69	-7.33	1	4	0	45	286.375	5	↓ MOL2 SDF SMILES Flexibase

62823243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-(3-furylmethyl)-N-methyl-benzamide 2-amino-4-fluoro-N-(3-furylmethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.82	4.54	-7.86	2	4	0	59	248.257	3	↓ MOL2 SDF SMILES Flexibase

62823244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-fluoro-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 2-amino-4-fluoro-N-methyl-N-[(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)	1.04	5.32	-7.26	2	4	0	59	262.284	3	↓ MOL2 SDF SMILES Flexibase

62823365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-4-fluoro-benzamide 2-amino-N-[(1R)-1-(2,5-dimethyl-…

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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)	2.05	5.27	-7.63	3	4	0	68	276.311	3	↓ MOL2 SDF SMILES Flexibase

62823366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-4-fluoro-benzamide 2-amino-N-[(1S)-1-(2,5-dimethyl-…

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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)	2.05	5.29	-7.62	3	4	0	68	276.311	3	↓ MOL2 SDF SMILES Flexibase

63006714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3,5-difluoro-benzamide 4-amino-N-[(1R)-1-(2,5-dimethyl-…

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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)	2.15	5.05	-8.42	3	4	0	68	294.301	3	↓ MOL2 SDF SMILES Flexibase

63006715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3,5-difluoro-benzamide 4-amino-N-[(1S)-1-(2,5-dimethyl-…

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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)	2.15	5.07	-8.49	3	4	0	68	294.301	3	↓ MOL2 SDF SMILES Flexibase

63011703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-(3-furylmethyl)-N-methyl-benzamide 3,4,5-trifluoro-N-(3-furylmethyl…

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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)	1.60	6.55	-8.73	0	3	0	33	269.222	3	↓ MOL2 SDF SMILES Flexibase

63011704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trifluoro-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 3,4,5-trifluoro-N-methyl-N-[(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)	1.82	7.27	-8.26	0	3	0	33	283.249	3	↓ MOL2 SDF SMILES Flexibase

63011802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3,4,5-trifluoro-benzamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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)	2.83	7.17	-8.29	1	3	0	42	297.276	3	↓ MOL2 SDF SMILES Flexibase

63011803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3,4,5-trifluoro-benzamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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)	2.83	7.18	-8.32	1	3	0	42	297.276	3	↓ MOL2 SDF SMILES Flexibase

55107683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-furylmethyl)-N,5-dimethyl-2-(2-methylpropanoylamino)benzamide N-(3-furylmethyl)-N,5-dimethyl-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)	1.93	7.66	-13.31	1	5	0	63	314.385	5	↓ MOL2 SDF SMILES Flexibase

55460555

Analogs

42449148
42449980
42449982

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide N-methyl-N-[(2-methyl-3-furyl)me…

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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)	1.47	7.09	-9.11	0	3	0	33	229.279	3	↓ MOL2 SDF SMILES Flexibase

55460950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-methyl-N-[(2-methyl-3-furyl)methyl]-4-nitro-benzamide 2-chloro-N-methyl-N-[(2-methyl-3…

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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)	2.04	8.32	-11.51	0	6	0	79	308.721	4	↓ MOL2 SDF SMILES Flexibase

67076329

Analogs

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Popular Name: 2-chloro-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-5-methylsulfonyl-benzamide 2-chloro-N-[(1R)-1-(2,5-dimethyl…

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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)	1.95	5.04	-16.07	1	5	0	76	355.843	4	↓ MOL2 SDF SMILES Flexibase

67076330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-5-methylsulfonyl-benzamide 2-chloro-N-[(1S)-1-(2,5-dimethyl…

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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)	1.95	5.06	-16.19	1	5	0	76	355.843	4	↓ MOL2 SDF SMILES Flexibase

67076608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-benzamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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)	1.95	6.33	-19.22	2	6	0	81	390.505	9	↓ MOL2 SDF SMILES Flexibase

67076610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-benzamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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)	1.95	6.35	-19.29	2	6	0	81	390.505	9	↓ MOL2 SDF SMILES Flexibase

67077569

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-2-fluoro-4-nitro-benzamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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)	2.53	7.77	-13.25	1	6	0	88	306.293	4	↓ MOL2 SDF SMILES Flexibase

67077571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-2-fluoro-4-nitro-benzamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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)	2.53	7.79	-13.27	1	6	0	88	306.293	4	↓ MOL2 SDF SMILES Flexibase

67077746

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-3-(dimethylsulfamoyl)-4-fluoro-benzamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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)	1.88	4.86	-16.85	1	6	0	80	368.43	5	↓ MOL2 SDF SMILES Flexibase

67077748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-3-(dimethylsulfamoyl)-4-fluoro-benzamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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)	1.88	4.87	-16.8	1	6	0	80	368.43	5	↓ MOL2 SDF SMILES Flexibase

67166872

Analogs

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Popular Name: 2-chloro-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-5-ethylsulfonyl-benzamide 2-chloro-N-[(1S)-1-(2,5-dimethyl…

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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)	2.33	5.93	-15.27	1	5	0	76	369.87	5	↓ MOL2 SDF SMILES Flexibase

67166873

Analogs

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Popular Name: 2-chloro-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-5-ethylsulfonyl-benzamide 2-chloro-N-[(1R)-1-(2,5-dimethyl…

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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)	2.33	5.92	-15.15	1	5	0	76	369.87	5	↓ MOL2 SDF SMILES Flexibase

67330080

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]-2-(propylsulfonylamino)benzamide N-[(1S)-1-(2,5-dimethyl-3-furyl)…

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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)	2.54	5.76	-51.44	1	6	-1	90	363.459	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	5.76	-14.89	2	6	0	88	364.467	7	↓ MOL2 SDF SMILES Flexibase

67330081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]-2-(propylsulfonylamino)benzamide N-[(1R)-1-(2,5-dimethyl-3-furyl)…

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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)	2.54	5.74	-51.4	1	6	-1	90	363.459	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	5.75	-14.68	2	6	0	88	364.467	7	↓ MOL2 SDF SMILES Flexibase

67331442

Analogs

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Popular Name: 2-(2-dimethylaminoethyloxy)-N-[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]benzamide 2-(2-dimethylaminoethyloxy)-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)	3.06	9.87	-36.37	2	5	1	56	331.436	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.06	7.36	-13.15	1	5	0	55	330.428	7	↓ MOL2 SDF SMILES Flexibase

67331444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-dimethylaminoethyloxy)-N-[(1S)-1-(2,5-dimethyl-3-furyl)ethyl]benzamide 2-(2-dimethylaminoethyloxy)-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)	3.06	9.89	-36.22	2	5	1	56	331.436	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.06	7.37	-13.19	1	5	0	55	330.428	7	↓ MOL2 SDF SMILES Flexibase

48945444

Analogs

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Popular Name: 4-bromo-2-chloro-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 4-bromo-2-chloro-N-methyl-N-[(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)	2.89	8.22	-9.1	0	3	0	33	342.62	3	↓ MOL2 SDF SMILES Flexibase

48945445

Analogs

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Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]-4-[(S)-methylsulfinyl]benzamide N-methyl-N-[(2-methyl-3-furyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.31	5.68	-16.43	0	4	0	51	291.372	4	↓ MOL2 SDF SMILES Flexibase

48945446

Analogs

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Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]-4-[(R)-methylsulfinyl]benzamide N-methyl-N-[(2-methyl-3-furyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.31	5.68	-22.46	0	4	0	51	291.372	4	↓ MOL2 SDF SMILES Flexibase

48945447

Analogs

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Popular Name: 4-chloro-3-iodo-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 4-chloro-3-iodo-N-methyl-N-[(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)	3.16	8.62	-9.26	0	3	0	33	389.62	3	↓ MOL2 SDF SMILES Flexibase

49225136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-iodo-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 4-fluoro-2-iodo-N-methyl-N-[(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)	2.65	8.21	-8.59	0	3	0	33	373.165	3	↓ MOL2 SDF SMILES Flexibase

49225140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-iodo-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 3-bromo-4-iodo-N-methyl-N-[(2-me…

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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)	3.29	8.7	-9	0	3	0	33	434.071	3	↓ MOL2 SDF SMILES Flexibase

49251949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-hydroxy-N,5-dimethyl-N-[(2-methyl-3-furyl)methyl]benzamide 3-bromo-2-hydroxy-N,5-dimethyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	5.91	-13.76	1	4	0	54	338.201	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.91	6.75	-53.46	0	4	-1	57	337.193	3	↓ MOL2 SDF SMILES Flexibase

49251954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-iodo-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 5-chloro-2-iodo-N-methyl-N-[(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)	3.16	8.65	-6.91	0	3	0	33	389.62	3	↓ MOL2 SDF SMILES Flexibase

49251979

Analogs

42449148

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)-N-methyl-N-[(2-methyl-3-furyl)methyl]benzamide 4-(dimethylamino)-N-methyl-N-[(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)	1.57	7.49	-9.88	0	4	0	37	272.348	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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