ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36540695

Analogs

36540696

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	5.39	10.51	-13.42	1	6	0	72	440.927	7	↓ MOL2 SDF SMILES Flexibase

36540696

Analogs

36540695

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(tert-butylamino)-1-(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)	5.39	10.45	-13.71	1	6	0	72	440.927	7	↓ MOL2 SDF SMILES Flexibase

36540699

Analogs

36540700

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-methoxy-benza N-(2-chlorophenyl)-N-[(1R)-1-(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)	6.99	13.18	-12.22	1	6	0	72	497.035	9	↓ MOL2 SDF SMILES Flexibase

36540700

Analogs

36540699

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-methoxy-benza N-(2-chlorophenyl)-N-[(1S)-1-(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)	6.99	13.47	-13.23	1	6	0	72	497.035	9	↓ MOL2 SDF SMILES Flexibase

36540701

Analogs

36540702

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(butylamino)-1-(2-fury…

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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)	5.64	10.73	-13.92	1	6	0	72	440.927	9	↓ MOL2 SDF SMILES Flexibase

36540702

Analogs

36540701

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(butylamino)-1-(2-fury…

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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)	5.64	10.68	-14.19	1	6	0	72	440.927	9	↓ MOL2 SDF SMILES Flexibase

36543240

Analogs

36543241

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-4-chloro-N-(2-chlorophenyl)benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	5.51	11.34	-8.51	1	5	0	63	445.346	6	↓ MOL2 SDF SMILES Flexibase

36543241

Analogs

36543240

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-4-chloro-N-(2-chlorophenyl)benzamide N-[(1S)-2-(tert-butylamino)-1-(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)	5.51	11.1	-9.1	1	5	0	63	445.346	6	↓ MOL2 SDF SMILES Flexibase

36543244

Analogs

36543245

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(2-chlorophenyl)-N-[(1R)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzami 4-chloro-N-(2-chlorophenyl)-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)	7.11	14.3	-7.65	1	5	0	63	501.454	8	↓ MOL2 SDF SMILES Flexibase

36543245

Analogs

36543244

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(2-chlorophenyl)-N-[(1S)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzami 4-chloro-N-(2-chlorophenyl)-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)	7.11	14.38	-9.51	1	5	0	63	501.454	8	↓ MOL2 SDF SMILES Flexibase

36543246

Analogs

36543247

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-4-chloro-N-(2-chlorophenyl)benzamide N-[(1R)-2-(butylamino)-1-(2-fury…

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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)	5.76	11.56	-9.01	1	5	0	63	445.346	8	↓ MOL2 SDF SMILES Flexibase

36543247

Analogs

36543246

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-4-chloro-N-(2-chlorophenyl)benzamide N-[(1S)-2-(butylamino)-1-(2-fury…

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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)	5.76	11.33	-9.72	1	5	0	63	445.346	8	↓ MOL2 SDF SMILES Flexibase

36543342

Analogs

36543343

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-3,5-dinitro-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	4.68	12.23	-8.27	1	11	0	154	500.895	8	↓ MOL2 SDF SMILES Flexibase

36543343

Analogs

36543342

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-3,5-dinitro-benzamide N-[(1S)-2-(tert-butylamino)-1-(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)	4.68	11.99	-9	1	11	0	154	500.895	8	↓ MOL2 SDF SMILES Flexibase

36543344

Analogs

36543345

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-3,5-dinitro-benzamide N-[(1R)-2-(butylamino)-1-(2-fury…

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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	12.45	-8.94	1	11	0	154	500.895	10	↓ MOL2 SDF SMILES Flexibase

36543345

Analogs

36543344

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-3,5-dinitro-benzamide N-[(1S)-2-(butylamino)-1-(2-fury…

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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	12.22	-9.54	1	11	0	154	500.895	10	↓ MOL2 SDF SMILES Flexibase

36543544

Analogs

36543545
36545242
36545243

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-hydroxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	5.32	8.39	-12.37	2	6	0	83	426.9	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.32	9.23	-57.86	1	6	-1	86	425.892	6	↓ MOL2 SDF SMILES Flexibase

36543545

Analogs

36545242
36545243
36543544

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-hydroxy-benzamide N-[(1S)-2-(tert-butylamino)-1-(2…

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Activity (Go SEA)

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)	5.32	8.32	-11.99	2	6	0	83	426.9	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.32	9.15	-58.05	1	6	-1	86	425.892	6	↓ MOL2 SDF SMILES Flexibase

36543548

Analogs

36543549
36545246
36545247

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-hydroxy-benza N-(2-chlorophenyl)-N-[(1R)-1-(2-…

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Activity (Go SEA)

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)	6.92	11.03	-11.45	2	6	0	83	483.008	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.92	11.81	-55.56	1	6	-1	86	482	8	↓ MOL2 SDF SMILES Flexibase

36543549

Analogs

36545246
36545247
36543548

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-hydroxy-benza N-(2-chlorophenyl)-N-[(1S)-1-(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)	6.92	11.32	-11.56	2	6	0	83	483.008	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.92	12.11	-22.65	1	6	0	86	482	8	↓ MOL2 SDF SMILES Flexibase

36543550

Analogs

36543551
36545248
36545249

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-hydroxy-benzamide N-[(1R)-2-(butylamino)-1-(2-fury…

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Activity (Go SEA)

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)	5.58	8.62	-12.88	2	6	0	83	426.9	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.58	9.44	-57.7	1	6	-1	86	425.892	8	↓ MOL2 SDF SMILES Flexibase

36543551

Analogs

36545248
36545249
36543550

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-hydroxy-benzamide N-[(1S)-2-(butylamino)-1-(2-fury…

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Activity (Go SEA)

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)	5.58	8.57	-12.55	2	6	0	83	426.9	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.58	9.39	-57.89	1	6	-1	86	425.892	8	↓ MOL2 SDF SMILES Flexibase

36543786

Analogs

36543787
36545042
36545043

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-4-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	4.89	10.12	-10.36	1	6	0	72	440.927	7	↓ MOL2 SDF SMILES Flexibase

36543787

Analogs

36545042
36545043
36543786

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-4-methoxy-benzamide N-[(1S)-2-(tert-butylamino)-1-(2…

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Activity (Go SEA)

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)	4.89	9.88	-10.94	1	6	0	72	440.927	7	↓ MOL2 SDF SMILES Flexibase

36543791

Analogs

36543792
36545046
36545047

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-4-methoxy-benza N-(2-chlorophenyl)-N-[(1R)-1-(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)	6.49	13.09	-9.42	1	6	0	72	497.035	9	↓ MOL2 SDF SMILES Flexibase

36543792

Analogs

36545046
36545047
36543791

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-4-methoxy-benza N-(2-chlorophenyl)-N-[(1S)-1-(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)	6.49	13.18	-11.43	1	6	0	72	497.035	9	↓ MOL2 SDF SMILES Flexibase

36543793

Analogs

36543794
36545048
36545049

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-4-methoxy-benzamide N-[(1R)-2-(butylamino)-1-(2-fury…

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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)	5.14	10.35	-10.82	1	6	0	72	440.927	9	↓ MOL2 SDF SMILES Flexibase

36543794

Analogs

36545048
36545049
36543793

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-4-methoxy-benzamide N-[(1S)-2-(butylamino)-1-(2-fury…

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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)	5.14	10.12	-11.53	1	6	0	72	440.927	9	↓ MOL2 SDF SMILES Flexibase

24987911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-methoxy-N-(p-tolyl)benzamide N-(2-furylmethyl)-2-methoxy-N-(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)	4.73	10.83	-14.2	0	4	0	43	321.376	5	↓ MOL2 SDF SMILES Flexibase

24987916

Analogs

32110843
34682917

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-4-methoxy-N-(p-tolyl)benzamide N-(2-furylmethyl)-4-methoxy-N-(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)	4.23	9.23	-10.05	0	4	0	43	321.376	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 98038
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 = 98038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=98038&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "98038"        

    });
</script>

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