ZINC 12

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ZINC Item

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36097508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(2S)-2-morpholino-2-(m-tolyl)ethyl]benzamide 3,4-dimethyl-N-[(2S)-2-morpholin…

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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)	3.84	7.91	-9.25	1	4	0	42	352.478	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.84	9.83	-41.54	2	4	1	43	353.486	5	↓ MOL2 SDF SMILES Flexibase

36097510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[(2R)-2-morpholino-2-(m-tolyl)ethyl]benzamide 3,4-dimethyl-N-[(2R)-2-morpholin…

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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)	3.84	7.93	-9.59	1	4	0	42	352.478	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.84	9.84	-42.28	2	4	1	43	353.486	5	↓ MOL2 SDF SMILES Flexibase

36097930

Analogs

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Popular Name: N-[(2S)-2-(4-ethylphenyl)-2-morpholino-ethyl]benzamide N-[(2S)-2-(4-ethylphenyl)-2-morp…

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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)	3.50	7.49	-9.04	1	4	0	42	338.451	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.50	9.41	-41.73	2	4	1	43	339.459	6	↓ MOL2 SDF SMILES Flexibase

36097932

Analogs

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Popular Name: N-[(2R)-2-(4-ethylphenyl)-2-morpholino-ethyl]benzamide N-[(2R)-2-(4-ethylphenyl)-2-morp…

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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)	3.50	6.94	-9.33	1	4	0	42	338.451	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.50	9.41	-42.48	2	4	1	43	339.459	6	↓ MOL2 SDF SMILES Flexibase

36097935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethylphenyl)-2-morpholino-ethyl]-2-methyl-benzamide N-[(2S)-2-(4-ethylphenyl)-2-morp…

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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)	3.90	7.58	-8.27	1	4	0	42	352.478	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.90	10.1	-40.87	2	4	1	43	353.486	6	↓ MOL2 SDF SMILES Flexibase

36097937

Analogs

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Popular Name: N-[(2R)-2-(4-ethylphenyl)-2-morpholino-ethyl]-2-methyl-benzamide N-[(2R)-2-(4-ethylphenyl)-2-morp…

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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)	3.90	7.71	-8.49	1	4	0	42	352.478	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.90	10.09	-41.58	2	4	1	43	353.486	6	↓ MOL2 SDF SMILES Flexibase

36097939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethylphenyl)-2-morpholino-ethyl]-3-methyl-benzamide N-[(2S)-2-(4-ethylphenyl)-2-morp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	8.15	-9.1	1	4	0	42	352.478	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.93	10.07	-41.75	2	4	1	43	353.486	6	↓ MOL2 SDF SMILES Flexibase

36097941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-ethylphenyl)-2-morpholino-ethyl]-3-methyl-benzamide N-[(2R)-2-(4-ethylphenyl)-2-morp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	7.61	-9.44	1	4	0	42	352.478	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.93	10.07	-42.62	2	4	1	43	353.486	6	↓ MOL2 SDF SMILES Flexibase

36097943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethylphenyl)-2-morpholino-ethyl]-4-methyl-benzamide N-[(2S)-2-(4-ethylphenyl)-2-morp…

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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)	3.95	8.16	-8.9	1	4	0	42	352.478	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.95	10.08	-41.67	2	4	1	43	353.486	6	↓ MOL2 SDF SMILES Flexibase

36097945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-ethylphenyl)-2-morpholino-ethyl]-4-methyl-benzamide N-[(2R)-2-(4-ethylphenyl)-2-morp…

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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)	3.95	7.62	-9.24	1	4	0	42	352.478	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.95	10.08	-42.43	2	4	1	43	353.486	6	↓ MOL2 SDF SMILES Flexibase

36097980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethylphenyl)-2-morpholino-ethyl]-3,4-dimethyl-benzamide N-[(2S)-2-(4-ethylphenyl)-2-morp…

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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)	4.33	8.69	-9.2	1	4	0	42	366.505	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.33	10.61	-41.7	2	4	1	43	367.513	6	↓ MOL2 SDF SMILES Flexibase

36097982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-ethylphenyl)-2-morpholino-ethyl]-3,4-dimethyl-benzamide N-[(2R)-2-(4-ethylphenyl)-2-morp…

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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)	4.33	8.15	-9.51	1	4	0	42	366.505	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.33	10.61	-42.44	2	4	1	43	367.513	6	↓ MOL2 SDF SMILES Flexibase

53501692

Analogs

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Popular Name: 5-acetamido-2-fluoro-N-[(2S)-2-morpholino-2-(m-tolyl)ethyl]benzamide 5-acetamido-2-fluoro-N-[(2S)-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)	2.32	5.51	-16.4	2	6	0	71	399.466	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.32	7.6	-52.85	3	6	1	72	400.474	6	↓ MOL2 SDF SMILES Flexibase

22664750

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-3-nitro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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)	2.63	7.14	-19.03	1	8	0	91	398.463	7	↓ MOL2 SDF SMILES Flexibase

22664755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-3-nitro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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)	2.63	7.38	-18.62	1	8	0	91	398.463	7	↓ MOL2 SDF SMILES Flexibase

22664777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-2,6-difluoro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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)	2.92	6.4	-13.61	1	5	0	45	389.446	6	↓ MOL2 SDF SMILES Flexibase

22664781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-2,6-difluoro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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)	2.92	6.67	-14.04	1	5	0	45	389.446	6	↓ MOL2 SDF SMILES Flexibase

22664786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4-fluoro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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)	2.86	6.53	-10.5	1	5	0	45	371.456	6	↓ MOL2 SDF SMILES Flexibase

22664790

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4-fluoro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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)	2.86	6.78	-11.04	1	5	0	45	371.456	6	↓ MOL2 SDF SMILES Flexibase

22664795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4,5-dimethoxy-2-nitro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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)	2.22	7.41	-19.55	1	10	0	109	458.515	9	↓ MOL2 SDF SMILES Flexibase

22664799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4,5-dimethoxy-2-nitro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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)	2.22	6.89	-19.53	1	10	0	109	458.515	9	↓ MOL2 SDF SMILES Flexibase

22664802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-2-nitro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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)	2.60	8.14	-21.64	1	8	0	91	398.463	7	↓ MOL2 SDF SMILES Flexibase

22664806

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-2-nitro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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)	2.60	8.42	-22.21	1	8	0	91	398.463	7	↓ MOL2 SDF SMILES Flexibase

22664811

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4-nitro-benzamide N-[(2S)-2-(4-dimethylaminophenyl…

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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	7.11	-13.43	1	8	0	91	398.463	7	↓ MOL2 SDF SMILES Flexibase

22664816

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4-nitro-benzamide N-[(2R)-2-(4-dimethylaminophenyl…

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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	7.38	-13.24	1	8	0	91	398.463	7	↓ MOL2 SDF SMILES Flexibase

22664865

Analogs

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Popular Name: 2-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4-nitro-benzamide 2-chloro-N-[(2S)-2-(4-dimethylam…

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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)	3.26	7.64	-13.62	1	8	0	91	432.908	7	↓ MOL2 SDF SMILES Flexibase

22664870

Analogs

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Popular Name: 2-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholino-ethyl]-4-nitro-benzamide 2-chloro-N-[(2R)-2-(4-dimethylam…

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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)	3.26	7.9	-13.98	1	8	0	91	432.908	7	↓ MOL2 SDF SMILES Flexibase

22685984

Analogs

36699179

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Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-methyl-2-nitro-benzamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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)	2.96	7.4	-23.49	1	8	0	97	399.447	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.96	9.61	-67.95	2	8	1	98	400.455	7	↓ MOL2 SDF SMILES Flexibase

22685988

Analogs

36699179

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Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-methyl-2-nitro-benzamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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)	2.96	7.39	-23.47	1	8	0	97	399.447	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.96	9.57	-68.08	2	8	1	98	400.455	7	↓ MOL2 SDF SMILES Flexibase

22686001

Analogs

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Popular Name: 3,5-difluoro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3,5-difluoro-N-[(2S)-2-(4-methox…

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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)	2.90	5.47	-9.79	1	5	0	51	376.403	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.90	7.43	-48.11	2	5	1	52	377.411	6	↓ MOL2 SDF SMILES Flexibase

22686005

Analogs

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Popular Name: 3,5-difluoro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3,5-difluoro-N-[(2R)-2-(4-methox…

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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)	2.90	5.79	-10.63	1	5	0	51	376.403	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.90	7.9	-51.41	2	5	1	52	377.411	6	↓ MOL2 SDF SMILES Flexibase

22686074

Analogs

36699179

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-2-nitro-benzamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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)	2.56	7.07	-21.63	1	8	0	97	385.42	7	↓ MOL2 SDF SMILES Flexibase

22686078

Analogs

36699179

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-2-nitro-benzamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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)	2.56	7.35	-22.88	1	8	0	97	385.42	7	↓ MOL2 SDF SMILES Flexibase

22686082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 2-chloro-N-[(2S)-2-(4-methoxyphe…

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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)	3.28	5.91	-12.76	1	5	0	51	374.868	6	↓ MOL2 SDF SMILES Flexibase

22686086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 2-chloro-N-[(2R)-2-(4-methoxyphe…

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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)	3.28	6.17	-13.75	1	5	0	51	374.868	6	↓ MOL2 SDF SMILES Flexibase

22686113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 2-methoxy-N-[(2S)-2-(4-methoxyph…

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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)	3.20	5.97	-14.47	1	6	0	60	370.449	7	↓ MOL2 SDF SMILES Flexibase

22686117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 2-methoxy-N-[(2R)-2-(4-methoxyph…

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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)	3.20	6.23	-15.41	1	6	0	60	370.449	7	↓ MOL2 SDF SMILES Flexibase

22686134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3-chloro-N-[(2S)-2-(4-methoxyphe…

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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)	3.30	5.91	-12.4	1	5	0	51	374.868	6	↓ MOL2 SDF SMILES Flexibase

22686138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3-chloro-N-[(2R)-2-(4-methoxyphe…

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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)	3.30	6.17	-10.34	1	5	0	51	374.868	6	↓ MOL2 SDF SMILES Flexibase

22686142

Analogs

36699178
15996563
15996565

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-(trifluoromethyl)benzamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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)	3.52	6.38	-14.28	1	5	0	51	408.42	7	↓ MOL2 SDF SMILES Flexibase

22686146

Analogs

36699178
15996563
15996565

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-(trifluoromethyl)benzamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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)	3.52	6.67	-14.58	1	5	0	51	408.42	7	↓ MOL2 SDF SMILES Flexibase

22686198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3-methoxy-N-[(2S)-2-(4-methoxyph…

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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)	2.68	4.69	-14.69	1	6	0	60	370.449	7	↓ MOL2 SDF SMILES Flexibase

22686202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3-methoxy-N-[(2R)-2-(4-methoxyph…

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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)	2.68	4.97	-15.12	1	6	0	60	370.449	7	↓ MOL2 SDF SMILES Flexibase

22686227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-2-methyl-benzamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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)	3.05	6.09	-10.51	1	5	0	51	354.45	6	↓ MOL2 SDF SMILES Flexibase

22686230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-2-methyl-benzamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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)	3.05	6.3	-11.88	1	5	0	51	354.45	6	↓ MOL2 SDF SMILES Flexibase

22686239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3,5-dimethyl-benzamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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)	3.47	6.65	-11.26	1	5	0	51	368.477	6	↓ MOL2 SDF SMILES Flexibase

22686242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3,5-dimethyl-benzamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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)	3.47	6.98	-12.29	1	5	0	51	368.477	6	↓ MOL2 SDF SMILES Flexibase

22686246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 2-ethoxy-N-[(2S)-2-(4-methoxyphe…

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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)	3.58	6.87	-14.93	1	6	0	60	384.476	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.58	8.8	-48.33	2	6	1	61	385.484	8	↓ MOL2 SDF SMILES Flexibase

22686250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 2-ethoxy-N-[(2R)-2-(4-methoxyphe…

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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)	3.58	7.15	-15.42	1	6	0	60	384.476	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.58	9.25	-51.52	2	6	1	61	385.484	8	↓ MOL2 SDF SMILES Flexibase

22686254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]benzamide 3-fluoro-N-[(2S)-2-(4-methoxyphe…

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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)	2.79	5.46	-13.3	1	5	0	51	358.413	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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