ZINC 12

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ZINC Item

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52820252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[[(1R,2S)-2-nitrocyclopropanecarbonyl]amino]ethyl]benzamide 2-chloro-N-[2-[[(1R,2S)-2-nitroc…

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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)	1.25	5.51	-22.07	2	7	0	104	311.725	6	↓ MOL2 SDF SMILES Flexibase

52820253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[[(1S,2S)-2-nitrocyclopropanecarbonyl]amino]ethyl]benzamide 2-chloro-N-[2-[[(1S,2S)-2-nitroc…

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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)	1.25	4.45	-16.48	2	7	0	104	311.725	6	↓ MOL2 SDF SMILES Flexibase

52820254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[[(1R,2R)-2-nitrocyclopropanecarbonyl]amino]ethyl]benzamide 2-chloro-N-[2-[[(1R,2R)-2-nitroc…

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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)	1.25	4.45	-16.47	2	7	0	104	311.725	6	↓ MOL2 SDF SMILES Flexibase

52820255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[[(1S,2R)-2-nitrocyclopropanecarbonyl]amino]ethyl]benzamide 2-chloro-N-[2-[[(1S,2R)-2-nitroc…

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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)	1.25	5.51	-22.08	2	7	0	104	311.725	6	↓ MOL2 SDF SMILES Flexibase

13010195

Analogs

13010197
13010199
13010201

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-N-[2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 3-fluoro-4-methyl-N-[2-[[(1S,2R)…

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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)	2.26	4.96	-12.96	2	4	0	58	278.327	5	↓ MOL2 SDF SMILES Flexibase

13010197

Analogs

13010199
13010201
13010195

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-N-[2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 3-fluoro-4-methyl-N-[2-[[(1S,2S)…

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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)	2.26	4.92	-11.14	2	4	0	58	278.327	5	↓ MOL2 SDF SMILES Flexibase

13010199

Analogs

13010201
13010195
13010197

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-N-[2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 3-fluoro-4-methyl-N-[2-[[(1R,2R)…

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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)	2.26	4.92	-13.54	2	4	0	58	278.327	5	↓ MOL2 SDF SMILES Flexibase

13010201

Analogs

13010195
13010197
13010199

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-methyl-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 3-fluoro-4-methyl-N-[2-[[(1R,2S)…

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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)	2.26	4.96	-12.96	2	4	0	58	278.327	5	↓ MOL2 SDF SMILES Flexibase

22751819

Analogs

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Popular Name: 4-cyano-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide 4-cyano-N-[2-(cyclopropanecarbon…

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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)	0.86	3.92	-16.78	2	5	0	82	257.293	5	↓ MOL2 SDF SMILES Flexibase

48947808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 4-fluoro-N-[2-[[(1S,2R)-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)	1.88	4.32	-11.05	2	4	0	58	264.3	5	↓ MOL2 SDF SMILES Flexibase

48947810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 4-fluoro-N-[2-[[(1S,2S)-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)	1.88	4.27	-11.69	2	4	0	58	264.3	5	↓ MOL2 SDF SMILES Flexibase

48947812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 4-fluoro-N-[2-[[(1R,2R)-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)	1.88	4.27	-11.7	2	4	0	58	264.3	5	↓ MOL2 SDF SMILES Flexibase

48947814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]ethyl]benzamide 4-fluoro-N-[2-[[(1R,2S)-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)	1.88	4.32	-11.05	2	4	0	58	264.3	5	↓ MOL2 SDF SMILES Flexibase

41597405

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-(methylsulfanylmethyl)benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.60	5.43	-12.97	2	4	0	58	292.404	7	↓ MOL2 SDF SMILES Flexibase

41598160

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-nitro-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.07	4.25	-14.36	2	7	0	104	277.28	6	↓ MOL2 SDF SMILES Flexibase

41598169

Analogs

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Popular Name: 3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide 3-chloro-N-[2-(cyclopropanecarbo…

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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)	1.76	4.06	-11	2	4	0	58	266.728	5	↓ MOL2 SDF SMILES Flexibase

41598175

Analogs

36350697

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide 3,4-dichloro-N-[2-(cyclopropanec…

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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	4.51	-10.7	2	4	0	58	301.173	5	↓ MOL2 SDF SMILES Flexibase

41598216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-methyl-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.56	4.21	-12.11	2	4	0	58	246.31	5	↓ MOL2 SDF SMILES Flexibase

41598243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dichloro-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide 2,5-dichloro-N-[2-(cyclopropanec…

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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	4.57	-11.36	2	4	0	58	301.173	5	↓ MOL2 SDF SMILES Flexibase

41598246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide 3,5-dichloro-N-[2-(cyclopropanec…

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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	4.56	-10.52	2	4	0	58	301.173	5	↓ MOL2 SDF SMILES Flexibase

41598255

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-3,5-dimethyl-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.93	4.87	-12.02	2	4	0	58	260.337	5	↓ MOL2 SDF SMILES Flexibase

41598302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-2,4-difluoro-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.36	3.68	-14.41	2	4	0	58	268.263	5	↓ MOL2 SDF SMILES Flexibase

41598313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-ethyl-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	2.02	4.98	-11.89	2	4	0	58	260.337	6	↓ MOL2 SDF SMILES Flexibase

41598345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-2,4-dimethyl-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.93	4.88	-11.26	2	4	0	58	260.337	5	↓ MOL2 SDF SMILES Flexibase

41598416

Analogs

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Popular Name: 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluoro-benzamide 2-chloro-N-[2-(cyclopropanecarbo…

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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)	1.88	4.11	-12.63	2	4	0	58	284.718	5	↓ MOL2 SDF SMILES Flexibase

41598951

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-(dimethylamino)benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.21	3.97	-12.98	2	5	0	61	275.352	6	↓ MOL2 SDF SMILES Flexibase

41598955

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-3-(dimethylamino)benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.19	3.95	-13.08	2	5	0	61	275.352	6	↓ MOL2 SDF SMILES Flexibase

41598959

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-2,5-dimethyl-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.93	4.88	-11.1	2	4	0	58	260.337	5	↓ MOL2 SDF SMILES Flexibase

41598978

Analogs

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

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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)	1.93	4.76	-12.3	2	4	0	58	260.337	5	↓ MOL2 SDF SMILES Flexibase

41599034

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-3-(methanesulfonamido)benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	0.32	0.15	-18.57	3	7	0	104	325.39	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.32	0.31	-49.13	2	7	-1	106	324.382	7	↓ MOL2 SDF SMILES Flexibase

49376032

Analogs

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Popular Name: 4-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-2-methoxy-benzamide 4-chloro-N-[2-(cyclopropanecarbo…

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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	4.62	-13.9	2	5	0	67	296.754	6	↓ MOL2 SDF SMILES Flexibase

49428793

Analogs

43944783

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-2-ethoxy-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	2.04	5.01	-15.04	2	5	0	67	276.336	7	↓ MOL2 SDF SMILES Flexibase

49428797

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(R)-methylsulfinyl]benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	-0.05	2.13	-24.69	2	5	0	75	294.376	6	↓ MOL2 SDF SMILES Flexibase

49428799

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(S)-methylsulfinyl]benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	-0.05	2.13	-20.65	2	5	0	75	294.376	6	↓ MOL2 SDF SMILES Flexibase

49428801

Analogs

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Popular Name: 5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]-2-iodo-benzamide 5-bromo-N-[2-(cyclopropanecarbon…

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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)	2.93	5.23	-10.09	2	4	0	58	437.075	5	↓ MOL2 SDF SMILES Flexibase

49428807

Analogs

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Popular Name: 4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-benzamide 4-bromo-N-[2-(cyclopropanecarbon…

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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)	2.01	4.24	-14	2	4	0	58	329.169	5	↓ MOL2 SDF SMILES Flexibase

49428809

Analogs

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Popular Name: 5-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-benzamide 5-chloro-N-[2-(cyclopropanecarbo…

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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)	1.88	4.13	-13.1	2	4	0	58	284.718	5	↓ MOL2 SDF SMILES Flexibase

49428817

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-2-nitro-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.02	4.92	-20.16	2	7	0	104	277.28	6	↓ MOL2 SDF SMILES Flexibase

41816171

Analogs

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Popular Name: 2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-6-fluoro-benzamide 2-chloro-N-[2-(cyclopropanecarbo…

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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)	1.85	3.88	-13.72	2	4	0	58	284.718	5	↓ MOL2 SDF SMILES Flexibase

41979319

Analogs

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Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-2-hydroxy-benzamide N-[2-(cyclopropanecarbonylamino)…

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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)	1.60	2.09	-14.08	3	5	0	78	248.282	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.60	3.09	-56.47	2	5	-1	81	247.274	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 24484
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 = 24484 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=24484&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": "24484"        

    });
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