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ZINC Item

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6541256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(4-chlorophenyl)carbamoylmethyl-methyl-carbamoyl]methyl]-4-tert-butyl-benzamide N-[[(4-chlorophenyl)carbamoylmet…

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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	-0.48	-15.76	2	6	0	78	415.921	7	↓ MOL2 SDF SMILES Flexibase

17973768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[2-[[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide 2,4-dichloro-N-[2-[[2-[(2,6-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)	2.80	8.49	-15.25	2	6	0	79	422.312	6	↓ MOL2 SDF SMILES Flexibase

13014586

Analogs

9169622

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[methyl-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]carbamoyl]-3-methylsulfanyl-propyl]be N-[(1S)-1-[methyl-[2-oxo-2-[(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)	2.78	8.52	-13.34	2	6	0	79	453.486	9	↓ MOL2 SDF SMILES Flexibase

23003011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzami N-[2-[[2-[(2-methoxy-5-methyl-ph…

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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	4.34	-18.99	3	10	0	142	414.418	8	↓ MOL2 SDF SMILES Flexibase

23003053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide 2,4-difluoro-N-[2-[[2-[(2-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)	2.60	3.66	-16.23	3	7	0	97	391.374	7	↓ MOL2 SDF SMILES Flexibase

23030559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dimethylsulfamoyl)-N-[2-[methyl-[2-oxo-2-(p-tolylamino)ethyl]amino]-2-oxo-ethyl]benzamide 3-(dimethylsulfamoyl)-N-[2-[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)	1.39	4.42	-26.05	2	9	0	116	446.529	8	↓ MOL2 SDF SMILES Flexibase

23038487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[2-[[2-[(2,6-difluorophenyl)amino]-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl]benzamide 2,4-dichloro-N-[2-[[2-[(2,6-difl…

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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)	3.54	7.95	-18.62	2	6	0	79	444.265	7	↓ MOL2 SDF SMILES Flexibase

23038499

Analogs

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Popular Name: N-[2-[[2-[(2,6-difluorophenyl)amino]-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl]-2,4-difluoro-benzamide N-[2-[[2-[(2,6-difluorophenyl)am…

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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)	2.52	7.07	-20.64	2	6	0	79	411.355	7	↓ MOL2 SDF SMILES Flexibase

23039166

Analogs

34870318
34870323

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-2,4-difluoro-benzamide N-[2-[[2-[(2-chlorophenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	6.58	-17.48	2	6	0	79	395.793	6	↓ MOL2 SDF SMILES Flexibase

23039611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(1R)-1-[[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzam 2,4-dichloro-N-[(1R)-1-[[2-[(2,6…

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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)	3.67	8.25	-13.11	3	6	0	87	450.366	7	↓ MOL2 SDF SMILES Flexibase

23039612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(1S)-1-[[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzam 2,4-dichloro-N-[(1S)-1-[[2-[(2,6…

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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)	3.67	8.15	-13.19	3	6	0	87	450.366	7	↓ MOL2 SDF SMILES Flexibase

57287731

Analogs

4591040

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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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)	2.49	6.68	-16.43	2	7	0	88	383.448	8	↓ MOL2 SDF SMILES Flexibase

57287733

Analogs

4407616
4561417
25461341

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-methoxy-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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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)	2.14	5.32	-17.5	2	8	0	97	399.447	9	↓ MOL2 SDF SMILES Flexibase

57287734

Analogs

4375850

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Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-methyl-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	6.68	-17.05	2	7	0	88	383.448	8	↓ MOL2 SDF SMILES Flexibase

57287737

Analogs

4406809

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-2-fluoro-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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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)	2.20	6.08	-20.16	2	7	0	88	387.411	8	↓ MOL2 SDF SMILES Flexibase

57287738

Analogs

8313125

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-3,5-dimethyl-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	7.34	-17.12	2	7	0	88	397.475	8	↓ MOL2 SDF SMILES Flexibase

57287740

Analogs

8313125

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-3-methyl-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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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)	2.51	6.67	-17.3	2	7	0	88	383.448	8	↓ MOL2 SDF SMILES Flexibase

57287746

Analogs

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Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-3,4-dimethyl-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	7.21	-17.34	2	7	0	88	397.475	8	↓ MOL2 SDF SMILES Flexibase

57287815

Analogs

4406809
4454690
4607694

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[ethyl-[2-(4-methoxyanilino…

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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)	2.25	6.07	-16.07	2	7	0	88	387.411	8	↓ MOL2 SDF SMILES Flexibase

58306510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-4-hydroxy-benzamide N-[2-[[2-(2,6-dimethylanilino)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.04	4.49	-17.09	3	7	0	99	369.421	6	↓ MOL2 SDF SMILES Flexibase

58322859

Analogs

6427716
6427770

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide 4-cyano-N-[2-[methyl-[2-(2-methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.79	7.35	-17.05	2	7	0	102	396.472	7	↓ MOL2 SDF SMILES Flexibase

14230864

Analogs

14230867

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-2-methyl-benzamide N-[(1R)-1-[[2-[(2,6-dimethylphen…

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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)	3.31	9.16	-10.93	3	6	0	87	409.53	8	↓ MOL2 SDF SMILES Flexibase

14230867

Analogs

14230864

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Popular Name: N-[(1S)-1-[[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-2-methyl-benzamide N-[(1S)-1-[[2-[(2,6-dimethylphen…

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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)	3.31	9.12	-10.72	3	6	0	87	409.53	8	↓ MOL2 SDF SMILES Flexibase

14242011

Analogs

14242012

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methyl-2-[methyl-[2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl]amino]-2-oxo-ethyl]benzamide N-[(1R)-1-methyl-2-[methyl-[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)	2.25	8.75	-15.02	2	6	0	79	381.476	6	↓ MOL2 SDF SMILES Flexibase

14242012

Analogs

14242011

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-[methyl-[2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl]amino]-2-oxo-ethyl]benzamide N-[(1S)-1-methyl-2-[methyl-[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)	2.25	8.61	-15.8	2	6	0	79	381.476	6	↓ MOL2 SDF SMILES Flexibase

14244398

Analogs

17958609

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[2-[(4-bromo-2-methyl-phenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-2,4-dichloro-benzamide N-[2-[[2-[(4-bromo-2-methyl-phen…

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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	5.98	-12.68	3	6	0	87	473.154	6	↓ MOL2 SDF SMILES Flexibase

14244454

Analogs

6287732
6310038

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Popular Name: 3-chloro-N-[2-[[2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide 3-chloro-N-[2-[[2-[(3,4-difluoro…

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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)	2.82	4.13	-17.39	3	6	0	87	381.766	6	↓ MOL2 SDF SMILES Flexibase

14244456

Analogs

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Popular Name: N-[2-[[2-[(4-chlorophenyl)amino]-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-3,4-diethoxy-benzamide N-[2-[[2-[(4-chlorophenyl)amino]…

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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)	2.73	7.37	-18.81	2	8	0	97	447.919	10	↓ MOL2 SDF SMILES Flexibase

14248211

Analogs

3547630
6335212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[2-[(4-bromo-2-methyl-phenyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-3-fluoro-benzamide N-[2-[[2-[(4-bromo-2-methyl-phen…

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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)	3.24	5.03	-14.11	3	6	0	87	422.254	6	↓ MOL2 SDF SMILES Flexibase

68889602

Analogs

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Popular Name: N-[2-[[2-(3,4-dichloroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[[2-(3,4-dichloroanilino)-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)	3.34	7.46	-17.31	2	6	0	79	408.285	6	↓ MOL2 SDF SMILES Flexibase

16594371

Analogs

16594372

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[(1R)-1-[methyl-[2-oxo-2-(p-tolylamino)ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide 2-bromo-N-[(1R)-1-[methyl-[2-oxo…

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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)	3.65	9.57	-15.71	2	6	0	79	492.439	9	↓ MOL2 SDF SMILES Flexibase

16594372

Analogs

16594371

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Popular Name: 2-bromo-N-[(1S)-1-[methyl-[2-oxo-2-(p-tolylamino)ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide 2-bromo-N-[(1S)-1-[methyl-[2-oxo…

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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)	3.65	9.52	-17.22	2	6	0	79	492.439	9	↓ MOL2 SDF SMILES Flexibase

16594373

Analogs

16594374

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Popular Name: 2-methoxy-N-[(1S)-1-[methyl-[2-oxo-2-(p-tolylamino)ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamid 2-methoxy-N-[(1S)-1-[methyl-[2-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)	3.44	9.34	-19.47	2	7	0	88	443.569	10	↓ MOL2 SDF SMILES Flexibase

16594374

Analogs

16594373

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Popular Name: 2-methoxy-N-[(1R)-1-[methyl-[2-oxo-2-(p-tolylamino)ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamid 2-methoxy-N-[(1R)-1-[methyl-[2-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)	3.44	9.33	-20.06	2	7	0	88	443.569	10	↓ MOL2 SDF SMILES Flexibase

69101960

Analogs

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Popular Name: 4-tert-butyl-N-[(1R)-2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]benzamid 4-tert-butyl-N-[(1R)-2-[[2-(2-et…

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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)	4.56	10.38	-17.1	2	6	0	79	423.557	8	↓ MOL2 SDF SMILES Flexibase

69101961

Analogs

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Popular Name: 4-tert-butyl-N-[(1S)-2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]benzamid 4-tert-butyl-N-[(1S)-2-[[2-(2-et…

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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)	4.56	10.4	-14.28	2	6	0	79	423.557	8	↓ MOL2 SDF SMILES Flexibase

69106488

Analogs

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Popular Name: 4-chloro-N-[(1R,2S)-1-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1R,2S)-1-[[2-(2-eth…

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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)	4.81	10.75	-13.88	2	6	0	79	443.975	9	↓ MOL2 SDF SMILES Flexibase

69106490

Analogs

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Popular Name: 4-chloro-N-[(1S,2S)-1-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1S,2S)-1-[[2-(2-eth…

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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)	4.81	10.56	-12.25	2	6	0	79	443.975	9	↓ MOL2 SDF SMILES Flexibase

69106493

Analogs

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Popular Name: 4-chloro-N-[(1R,2R)-1-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1R,2R)-1-[[2-(2-eth…

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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)	4.81	10.75	-14.83	2	6	0	79	443.975	9	↓ MOL2 SDF SMILES Flexibase

69106495

Analogs

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Popular Name: 4-chloro-N-[(1S,2R)-1-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1S,2R)-1-[[2-(2-eth…

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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)	4.81	10.77	-12.58	2	6	0	79	443.975	9	↓ MOL2 SDF SMILES Flexibase

69161695

Analogs

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Popular Name: N-[(1R)-1-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide N-[(1R)-1-[[2-(4-bromo-2-methyl-…

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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)	3.70	7.27	-11.71	3	6	0	87	446.345	7	↓ MOL2 SDF SMILES Flexibase

69161696

Analogs

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Popular Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide N-[(1S)-1-[[2-(4-bromo-2-methyl-…

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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)	3.70	7.34	-11.59	3	6	0	87	446.345	7	↓ MOL2 SDF SMILES Flexibase

69179202

Analogs

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Popular Name: 4-chloro-N-[(1R)-2-methyl-1-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]propyl]benzamid 4-chloro-N-[(1R)-2-methyl-1-[met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	10.64	-15.38	2	6	0	79	443.975	7	↓ MOL2 SDF SMILES Flexibase

56148090

Analogs

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Popular Name: 4-chloro-N-[(1R)-2-[[2-(4-chloroanilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]benzamide 4-chloro-N-[(1R)-2-[[2-(4-chloro…

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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	5.38	-11.89	3	6	0	87	394.258	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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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 = 3419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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