ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

12020415

Analogs

32121325
32196845
32209418
34942143
34942147

Draw Identity 99% 90% 80% 70%

Popular Name: N-Benzyl-4-chloro-N-phenylbenzamide, 97% N-Benzyl-4-chloro-N-phenylbenzam…

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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)	5.15	2.02	-7.96	0	2	0	20	321.807	4	↓ MOL2 SDF SMILES Flexibase

12020619

Analogs

32110529
32123314
32134079
32150968
32159688

Draw Identity 99% 90% 80% 70%

Popular Name: N-Benzyl-N-phenyl-4-fluorobenzamide, 97% N-Benzyl-N-phenyl-4-fluorobenzam…

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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)	4.64	2.91	-8.22	0	2	0	20	305.352	4	↓ MOL2 SDF SMILES Flexibase

12021202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Benzyl-N-phenyl-4-bromobenzamide N-Benzyl-N-phenyl-4-bromobenzamide

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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)	5.28	11.96	-7.9	0	2	0	20	366.258	4	↓ MOL2 SDF SMILES Flexibase

12021407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-nitro-N-phenyl-benzamide N-benzyl-2-nitro-N-phenyl-benzamide

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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)	4.38	2.6	-19.68	0	5	0	66	332.359	5	↓ MOL2 SDF SMILES Flexibase

12021759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Benzyl-3-nitro-N-phenylbenzamide, 97% N-Benzyl-3-nitro-N-phenylbenzami…

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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)	4.41	2.68	-14.03	0	5	0	66	332.359	5	↓ MOL2 SDF SMILES Flexibase

36540593

Analogs

36540594
36540617
36540618

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	5.63	8.71	-14.43	2	6	0	79	466.965	7	↓ MOL2 SDF SMILES Flexibase

36540594

Analogs

36540617
36540618
36540593

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(tert-butylamino)-1-(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)	5.63	9.39	-15.25	2	6	0	79	466.965	7	↓ MOL2 SDF SMILES Flexibase

36540597

Analogs

36540598
36540621
36540622

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(3-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-metho N-(2-chlorophenyl)-N-[(1R)-1-(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)	7.23	12.08	-13.43	2	6	0	79	523.073	9	↓ MOL2 SDF SMILES Flexibase

36540598

Analogs

36540621
36540622
36540597

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-metho N-(2-chlorophenyl)-N-[(1S)-1-(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)	7.23	12.23	-13.81	2	6	0	79	523.073	9	↓ MOL2 SDF SMILES Flexibase

36540599

Analogs

36540600
36540623
36540624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(butylamino)-1-(3-hydr…

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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)	5.88	8.94	-14.99	2	6	0	79	466.965	9	↓ MOL2 SDF SMILES Flexibase

36540600

Analogs

36540623
36540624
36540599

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(3-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(butylamino)-1-(3-hydr…

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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)	5.88	9.64	-15.7	2	6	0	79	466.965	9	↓ MOL2 SDF SMILES Flexibase

36540601

Analogs

36540602
36540745
36540746

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	5.65	8.72	-14.4	2	6	0	79	466.965	7	↓ MOL2 SDF SMILES Flexibase

36540602

Analogs

36540745
36540746
36540601

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(tert-butylamino)-1-(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)	5.65	9.39	-14.4	2	6	0	79	466.965	7	↓ MOL2 SDF SMILES Flexibase

36540605

Analogs

36540606
36540749
36540750

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-metho N-(2-chlorophenyl)-N-[(1R)-1-(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)	7.25	12.08	-13.48	2	6	0	79	523.073	9	↓ MOL2 SDF SMILES Flexibase

36540606

Analogs

36540749
36540750
36540605

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(4-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-metho N-(2-chlorophenyl)-N-[(1S)-1-(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)	7.25	12.23	-13.1	2	6	0	79	523.073	9	↓ MOL2 SDF SMILES Flexibase

36540607

Analogs

36540608
36540751
36540752

Draw Identity 99% 90% 80% 70%

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

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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)	5.91	8.95	-14.97	2	6	0	79	466.965	9	↓ MOL2 SDF SMILES Flexibase

36540608

Analogs

36540751
36540752
36540607

Draw Identity 99% 90% 80% 70%

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

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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)	5.91	9.63	-14.98	2	6	0	79	466.965	9	↓ MOL2 SDF SMILES Flexibase

36540609

Analogs

36540610
36540635
36540636

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzami 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)	6.96	13.71	-13.42	1	5	0	59	479.02	7	↓ MOL2 SDF SMILES Flexibase

36540610

Analogs

36540635
36540636
36540609

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzami 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)	6.96	12.65	-11.14	1	5	0	59	479.02	7	↓ MOL2 SDF SMILES Flexibase

36540613

Analogs

36540614
36540639
36540640

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-me 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)	8.44	16.29	-10.59	1	5	0	59	535.128	9	↓ MOL2 SDF SMILES Flexibase

36540614

Analogs

36540639
36540640
36540613

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-me 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)	8.44	16.16	-10.49	1	5	0	59	535.128	9	↓ MOL2 SDF SMILES Flexibase

36540615

Analogs

36540616
36540641
36540642

Draw Identity 99% 90% 80% 70%

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

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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)	7.21	13.09	-11.71	1	5	0	59	479.02	9	↓ MOL2 SDF SMILES Flexibase

36540616

Analogs

36540641
36540642
36540615

Draw Identity 99% 90% 80% 70%

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

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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)	7.21	13.93	-13.84	1	5	0	59	479.02	9	↓ MOL2 SDF SMILES Flexibase

36540617

Analogs

36540618
36540593
36540594

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(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)	6.17	10.86	-14.25	1	6	0	68	480.992	8	↓ MOL2 SDF SMILES Flexibase

36540618

Analogs

36540593
36540594
36540617

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(tert-butylamino)-1-(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)	6.17	11.55	-14.8	1	6	0	68	480.992	8	↓ MOL2 SDF SMILES Flexibase

36540621

Analogs

36540622
36540597
36540598

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-(3-methoxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethy N-(2-chlorophenyl)-2-methoxy-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)	7.76	14.24	-13.19	1	6	0	68	537.1	10	↓ MOL2 SDF SMILES Flexibase

36540622

Analogs

36540597
36540598
36540621

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-methoxy-N-[(1S)-1-(3-methoxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethy N-(2-chlorophenyl)-2-methoxy-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)	7.76	14.38	-13.05	1	6	0	68	537.1	10	↓ MOL2 SDF SMILES Flexibase

36540623

Analogs

36540624
36540599
36540600

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(butylamino)-1-(3-meth…

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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)	6.42	11.09	-14.83	1	6	0	68	480.992	10	↓ MOL2 SDF SMILES Flexibase

36540624

Analogs

36540599
36540600
36540623

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(butylamino)-1-(3-meth…

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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)	6.42	11.79	-15.28	1	6	0	68	480.992	10	↓ MOL2 SDF SMILES Flexibase

36540625

Analogs

36540626

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-chlorophenyl)-2-methoxy-benz N-[(1R)-2-(tert-butylamino)-2-ox…

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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)	5.49	4.34	-16.73	4	8	0	119	498.963	7	↓ MOL2 SDF SMILES Flexibase

36540626

Analogs

36540625

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-chlorophenyl)-2-methoxy-benz N-[(1S)-2-(tert-butylamino)-2-ox…

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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)	5.49	4.8	-17.27	4	8	0	119	498.963	7	↓ MOL2 SDF SMILES Flexibase

36540629

Analogs

36540630

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(butylamino)-2-oxo-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)	5.74	4.58	-17.03	4	8	0	119	498.963	9	↓ MOL2 SDF SMILES Flexibase

36540630

Analogs

36540629

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(butylamino)-2-oxo-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)	5.74	5.17	-18.52	4	8	0	119	498.963	9	↓ MOL2 SDF SMILES Flexibase

36540631

Analogs

36540632

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Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-chlorophenyl)-2-methoxy-b N-[(1R)-2-(tert-butylamino)-2-ox…

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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)	7.03	12.56	-12.41	1	5	0	59	518.963	8	↓ MOL2 SDF SMILES Flexibase

36540632

Analogs

36540631

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-chlorophenyl)-2-methoxy-b N-[(1S)-2-(tert-butylamino)-2-ox…

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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)	7.03	13.27	-12.26	1	5	0	59	518.963	8	↓ MOL2 SDF SMILES Flexibase

36540633

Analogs

36540634

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-chlorophenyl)-2-methoxy-benzam N-[(1R)-2-(butylamino)-2-oxo-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)	7.28	12.79	-12.92	1	5	0	59	518.963	10	↓ MOL2 SDF SMILES Flexibase

36540634

Analogs

36540633

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-chlorophenyl)-2-methoxy-benzam N-[(1S)-2-(butylamino)-2-oxo-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)	7.28	13.5	-12.83	1	5	0	59	518.963	10	↓ MOL2 SDF SMILES Flexibase

36540635

Analogs

36540636
36540609
36540610

Draw Identity 99% 90% 80% 70%

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

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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)	6.53	12.69	-13.18	1	5	0	59	464.993	7	↓ MOL2 SDF SMILES Flexibase

36540636

Analogs

36540609
36540610
36540635

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-1-(o…

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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)	6.53	12.21	-11.22	1	5	0	59	464.993	7	↓ MOL2 SDF SMILES Flexibase

36540639

Analogs

36540640
36540613
36540614

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-methoxy-N-[(1S)-1-(o-tolyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzam N-(2-chlorophenyl)-2-methoxy-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)	8.12	15.68	-12.15	1	5	0	59	521.101	9	↓ MOL2 SDF SMILES Flexibase

36540640

Analogs

36540613
36540614
36540639

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-(o-tolyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]benzam N-(2-chlorophenyl)-2-methoxy-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)	8.12	15.34	-10.7	1	5	0	59	521.101	9	↓ MOL2 SDF SMILES Flexibase

36540641

Analogs

36540642
36540615
36540616

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(butylamino)-1-(o-toly…

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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)	6.79	12.43	-11.73	1	5	0	59	464.993	9	↓ MOL2 SDF SMILES Flexibase

36540642

Analogs

36540615
36540616
36540641

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(butylamino)-1-(o-tolyl)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1S)-2-(butylamino)-1-(o-toly…

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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)	6.79	13.27	-13.99	1	5	0	59	464.993	9	↓ MOL2 SDF SMILES Flexibase

36540643

Analogs

36540644

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-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)	6.07	9.07	-14	2	6	0	79	466.965	7	↓ MOL2 SDF SMILES Flexibase

36540644

Analogs

36540643

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(tert-butylamino)-1-(2-hydroxyphenyl)-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)	6.07	9.97	-13.86	2	6	0	79	466.965	7	↓ MOL2 SDF SMILES Flexibase

36540647

Analogs

36540648

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1R)-1-(2-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-metho 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)	7.67	11.76	-12.97	2	6	0	79	523.073	9	↓ MOL2 SDF SMILES Flexibase

36540648

Analogs

36540647

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-N-[(1S)-1-(2-hydroxyphenyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-2-metho 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)	7.67	12.81	-11.66	2	6	0	79	523.073	9	↓ MOL2 SDF SMILES Flexibase

36540649

Analogs

36540650

Draw Identity 99% 90% 80% 70%

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

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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)	6.33	9.32	-14.5	2	6	0	79	466.965	9	↓ MOL2 SDF SMILES Flexibase

36540650

Analogs

36540649

Draw Identity 99% 90% 80% 70%

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

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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)	6.33	10.2	-14.44	2	6	0	79	466.965	9	↓ MOL2 SDF SMILES Flexibase

36540679

Analogs

36540680
36540765
36540766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenyl-ethyl]-N-(2-chlorophenyl)-2-methoxy-benzamide N-[(1R)-2-(tert-butylamino)-2-ox…

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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)	6.13	11.57	-13.2	1	5	0	59	450.966	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 75337
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 = 75337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=75337&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": "75337"        

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