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ZINC Item

Suppliers, Protomers, & Similar Substances

53347624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-[2-(2,5-dimethoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]benzamide 4-chloro-N-[(1S)-2-[2-(2,5-dimet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	5.89	-11.98	2	6	0	77	390.867	8	↓ MOL2 SDF SMILES Flexibase

36333117

Analogs

36692861
36692862
36692863
36692864

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]-2-methyl-propyl]-3,5-dimethoxy- N-[(1R)-1-[[(2S)-2-(dimethylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	9.62	-45.67	3	7	1	81	456.607	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.91	7.16	-10.16	2	7	0	80	455.599	11	↓ MOL2 SDF SMILES Flexibase

36333119

Analogs

36692861
36692862
36692863
36692864

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]-2-methyl-propyl]-3,5-dimethoxy- N-[(1R)-1-[[(2R)-2-(dimethylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	9.67	-47.51	3	7	1	81	456.607	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.91	7.37	-11.03	2	7	0	80	455.599	11	↓ MOL2 SDF SMILES Flexibase

36333121

Analogs

36692861
36692862
36692863
36692864

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]-2-methyl-propyl]-3,5-dimethoxy- N-[(1S)-1-[[(2S)-2-(dimethylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	9.3	-47.88	3	7	1	81	456.607	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.91	7.27	-9.93	2	7	0	80	455.599	11	↓ MOL2 SDF SMILES Flexibase

36333123

Analogs

36692861
36692862
36692863
36692864

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]-2-methyl-propyl]-3,5-dimethoxy- N-[(1S)-1-[[(2R)-2-(dimethylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	9.31	-46.95	3	7	1	81	456.607	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.91	7.62	-9.97	2	7	0	80	455.599	11	↓ MOL2 SDF SMILES Flexibase

36536981

Analogs

36536982
36536983
36536984
36591151
36591152

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S,2S)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S,2S)-1-(tert-butylcarb…

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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)	3.36	9.39	-11.73	2	6	0	79	409.53	8	↓ MOL2 SDF SMILES Flexibase

36536982

Analogs

36536983
36536984
36591151
36591152
36591153

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S,2R)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S,2R)-1-(tert-butylcarb…

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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)	3.36	9.57	-11.15	2	6	0	79	409.53	8	↓ MOL2 SDF SMILES Flexibase

36536983

Analogs

36536984
36591151
36591152
36591153
36591154

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R,2S)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R,2S)-1-(tert-butylcarb…

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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)	3.36	9.52	-11.35	2	6	0	79	409.53	8	↓ MOL2 SDF SMILES Flexibase

36536984

Analogs

36591151
36591152
36591153
36591154
36536981

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R,2R)-1-(tert-butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R,2R)-1-(tert-butylcarb…

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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)	3.36	9.54	-11.87	2	6	0	79	409.53	8	↓ MOL2 SDF SMILES Flexibase

36536993

Analogs

36536994
36536995
36536996
36575382
36575383

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1S,2S)-2-phenyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)propyl]amino]-2-oxo-ethyl]benzam N-[2-[methyl-[(1S,2S)-2-phenyl-1…

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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)	4.96	12.91	-11.11	2	6	0	79	465.638	10	↓ MOL2 SDF SMILES Flexibase

36536994

Analogs

36536995
36536996
36575382
36575383
36575384

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1S,2R)-2-phenyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)propyl]amino]-2-oxo-ethyl]benzam N-[2-[methyl-[(1S,2R)-2-phenyl-1…

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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)	4.96	12.52	-10.45	2	6	0	79	465.638	10	↓ MOL2 SDF SMILES Flexibase

36536995

Analogs

36536996
36575382
36575383
36575384
36575385

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1R,2S)-2-phenyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)propyl]amino]-2-oxo-ethyl]benzam N-[2-[methyl-[(1R,2S)-2-phenyl-1…

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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)	4.96	12.42	-9.76	2	6	0	79	465.638	10	↓ MOL2 SDF SMILES Flexibase

36536996

Analogs

36575382
36575383
36575384
36575385
36591159

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1R,2R)-2-phenyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)propyl]amino]-2-oxo-ethyl]benzam N-[2-[methyl-[(1R,2R)-2-phenyl-1…

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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)	4.96	12.43	-11.1	2	6	0	79	465.638	10	↓ MOL2 SDF SMILES Flexibase

36536997

Analogs

36536998
36536999
36537000
36591163
36591164

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R,2S)-1-(butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R,2S)-1-(butylcarbamoyl…

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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)	3.62	9.78	-11.8	2	6	0	79	409.53	10	↓ MOL2 SDF SMILES Flexibase

36536998

Analogs

36536999
36537000
36591163
36591164
36591165

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S,2S)-1-(butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S,2S)-1-(butylcarbamoyl…

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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)	3.62	9.76	-11.79	2	6	0	79	409.53	10	↓ MOL2 SDF SMILES Flexibase

36536999

Analogs

36537000
36591163
36591164
36591165
36591166

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R,2R)-1-(butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R,2R)-1-(butylcarbamoyl…

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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)	3.62	9.3	-11.63	2	6	0	79	409.53	10	↓ MOL2 SDF SMILES Flexibase

36537000

Analogs

36591163
36591164
36591165
36591166
36536997

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S,2R)-1-(butylcarbamoyl)-2-phenyl-propyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S,2R)-1-(butylcarbamoyl…

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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)	3.62	9.83	-11.62	2	6	0	79	409.53	10	↓ MOL2 SDF SMILES Flexibase

22682669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[[(2R)-2-dimethylamino-2-(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)	2.65	6.98	-54.92	3	5	1	63	362.4	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	4.63	-11.65	2	5	0	61	361.392	7	↓ MOL2 SDF SMILES Flexibase

22682673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[[(2S)-2-dimethylamino-2-(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)	2.65	7.01	-54.72	3	5	1	63	362.4	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.65	4.67	-11.56	2	5	0	61	361.392	7	↓ MOL2 SDF SMILES Flexibase

22682876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2R)-2-dimethylamino-2-(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)	2.83	8.15	-61.34	3	8	1	108	403.434	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	5.79	-17.46	2	8	0	107	402.426	8	↓ MOL2 SDF SMILES Flexibase

22682880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2S)-2-dimethylamino-2-(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)	2.83	8.39	-62.7	3	8	1	108	403.434	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	5.88	-17.37	2	8	0	107	402.426	8	↓ MOL2 SDF SMILES Flexibase

22684489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[[(2S)-2-dimethylamino-2-(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)	3.43	8.29	-50.9	3	5	1	63	372.464	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	5.95	-9.58	2	5	0	61	371.456	8	↓ MOL2 SDF SMILES Flexibase

22684493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[[(2R)-2-dimethylamino-2-(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)	3.43	8.98	-49.31	3	5	1	63	372.464	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	6.73	-10.4	2	5	0	61	371.456	8	↓ MOL2 SDF SMILES Flexibase

22684606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2S)-2-dimethylamino-2-(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)	3.60	9.3	-54.27	3	8	1	108	413.498	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	7.19	-14.9	2	8	0	107	412.49	9	↓ MOL2 SDF SMILES Flexibase

22684608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2R)-2-dimethylamino-2-(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)	3.60	9.72	-55.54	3	8	1	108	413.498	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	7.53	-15.14	2	8	0	107	412.49	9	↓ MOL2 SDF SMILES Flexibase

22700665

Analogs

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Popular Name: N-[2-[[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide N-[2-[[(2R)-2-diethylamino-2-(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)	3.07	8.25	-55.05	3	9	1	118	429.497	11	↓ MOL2 SDF SMILES Flexibase

22700667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide N-[2-[[(2S)-2-diethylamino-2-(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)	3.07	8.19	-54.02	3	9	1	118	429.497	11	↓ MOL2 SDF SMILES Flexibase

22700904

Analogs

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Popular Name: N-[2-[[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[[(2R)-2-diethylamino-2-(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)	3.30	7.65	-47.87	3	6	1	72	402.49	10	↓ MOL2 SDF SMILES Flexibase

22700906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[[(2S)-2-diethylamino-2-(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)	3.30	7.66	-45.5	3	6	1	72	402.49	10	↓ MOL2 SDF SMILES Flexibase

22700976

Analogs

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Popular Name: N-[2-[[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2R)-2-diethylamino-2-(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)	3.47	8.41	-53.82	3	9	1	118	443.524	11	↓ MOL2 SDF SMILES Flexibase

22700978

Analogs

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Popular Name: N-[2-[[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide N-[2-[[(2S)-2-diethylamino-2-(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)	3.47	8.2	-52.7	3	9	1	118	443.524	11	↓ MOL2 SDF SMILES Flexibase

22752230

Analogs

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Popular Name: 2-chloro-N-[(1S)-1-[[(2R)-2-diethylamino-2-phenyl-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2-chloro-N-[(1S)-1-[[(2R)-2-diet…

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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	11.45	-45.55	3	5	1	63	431	10	↓ MOL2 SDF SMILES Flexibase

22752236

Analogs

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Popular Name: 2-chloro-N-[(1S)-1-[[(2S)-2-diethylamino-2-phenyl-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2-chloro-N-[(1S)-1-[[(2S)-2-diet…

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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	11.03	-45.73	3	5	1	63	431	10	↓ MOL2 SDF SMILES Flexibase

22752242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-[[(2R)-2-diethylamino-2-phenyl-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2-chloro-N-[(1R)-1-[[(2R)-2-diet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.34	10.96	-46.62	3	5	1	63	431	10	↓ MOL2 SDF SMILES Flexibase

22752248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-[[(2S)-2-diethylamino-2-phenyl-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2-chloro-N-[(1R)-1-[[(2S)-2-diet…

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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	11.36	-43.7	3	5	1	63	431	10	↓ MOL2 SDF SMILES Flexibase

22752471

Analogs

16599688
16599689

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]benzamide N-[2-[[(2R)-2-diethylamino-2-phe…

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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)	3.10	8.19	-45.69	3	5	1	63	354.474	9	↓ MOL2 SDF SMILES Flexibase

22752477

Analogs

16599688
16599689

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]benzamide N-[2-[[(2S)-2-diethylamino-2-phe…

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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)	3.10	8.28	-43.79	3	5	1	63	354.474	9	↓ MOL2 SDF SMILES Flexibase

22752484

Analogs

25419717
25419721

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-4-methyl-benzamide N-[2-[[(2R)-2-diethylamino-2-phe…

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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)	3.55	8.85	-45.59	3	5	1	63	368.501	9	↓ MOL2 SDF SMILES Flexibase

22752489

Analogs

25419717
25419721

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Popular Name: N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-4-methyl-benzamide N-[2-[[(2S)-2-diethylamino-2-phe…

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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)	3.55	8.85	-44.33	3	5	1	63	368.501	9	↓ MOL2 SDF SMILES Flexibase

22752496

Analogs

16599696
16599697

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Popular Name: N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide N-[2-[[(2R)-2-diethylamino-2-phe…

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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)	3.04	8.85	-53.57	3	8	1	108	399.471	10	↓ MOL2 SDF SMILES Flexibase

22752502

Analogs

16599696
16599697

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Popular Name: N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-3-nitro-benzamide N-[2-[[(2S)-2-diethylamino-2-phe…

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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)	3.04	8.85	-52.23	3	8	1	108	399.471	10	↓ MOL2 SDF SMILES Flexibase

22752508

Analogs

16599704
16599705

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Popular Name: N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-2-ethoxy-benzamide N-[2-[[(2S)-2-diethylamino-2-phe…

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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)	4.04	9.68	-46.22	3	6	1	72	398.527	11	↓ MOL2 SDF SMILES Flexibase

22752515

Analogs

16599704
16599705

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-2-ethoxy-benzamide N-[2-[[(2R)-2-diethylamino-2-phe…

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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)	4.04	9.7	-47.42	3	6	1	72	398.527	11	↓ MOL2 SDF SMILES Flexibase

22752522

Analogs

16599714
16599715

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Popular Name: 3-bromo-N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]benzamide 3-bromo-N-[2-[[(2R)-2-diethylami…

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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)	3.89	8.82	-47.09	3	5	1	63	433.37	9	↓ MOL2 SDF SMILES Flexibase

22752527

Analogs

16599714
16599715

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Popular Name: 3-bromo-N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]benzamide 3-bromo-N-[2-[[(2S)-2-diethylami…

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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)	3.89	8.89	-45.12	3	5	1	63	433.37	9	↓ MOL2 SDF SMILES Flexibase

22752542

Analogs

16599734
16599735

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Popular Name: N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-4-isopropoxy-benzamide N-[2-[[(2R)-2-diethylamino-2-phe…

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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	9.4	-45.98	3	6	1	72	412.554	11	↓ MOL2 SDF SMILES Flexibase

22752546

Analogs

16599734
16599735

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Popular Name: N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-4-isopropoxy-benzamide N-[2-[[(2S)-2-diethylamino-2-phe…

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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	9.21	-44.2	3	6	1	72	412.554	11	↓ MOL2 SDF SMILES Flexibase

22752593

Analogs

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Popular Name: N-[2-[[(2R)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-3-(dimethylsulfamoyl)benzamide N-[2-[[(2R)-2-diethylamino-2-phe…

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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)	2.39	6.16	-54.46	3	8	1	100	461.608	11	↓ MOL2 SDF SMILES Flexibase

22752597

Analogs

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Popular Name: N-[2-[[(2S)-2-diethylamino-2-phenyl-ethyl]amino]-2-oxo-ethyl]-3-(dimethylsulfamoyl)benzamide N-[2-[[(2S)-2-diethylamino-2-phe…

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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)	2.39	6.25	-52.23	3	8	1	100	461.608	11	↓ MOL2 SDF SMILES Flexibase

68872294

Analogs

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Popular Name: 4-tert-butyl-N-[2-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxo-ethyl]benzamide 4-tert-butyl-N-[2-[[(2R)-2-(dime…

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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	8.61	-47.79	3	6	1	72	412.554	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.11	6.09	-10.28	2	6	0	71	411.546	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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