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ZINC Item

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40335826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2S)-2-(1-piperidyl)propyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-(1-piperidyl)p…

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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)	0.96	3.09	-42.75	5	5	1	75	251.354	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.52	1.24	-93.34	5	5	2	74	252.362	4	↓ MOL2 SDF SMILES Flexibase

40335827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2R)-2-(1-piperidyl)propyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(2R)-2-(1-piperidyl)p…

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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)	0.96	3.07	-42.75	5	5	1	75	251.354	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.52	1.22	-93.3	5	5	2	74	252.362	4	↓ MOL2 SDF SMILES Flexibase

40335828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(2S)-2-(1-piperidyl)propyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(2S)-2-(1-pi…

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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)	1.03	5.24	-44.02	4	5	1	64	265.381	4	↓ MOL2 SDF SMILES Flexibase

40335829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(2R)-2-(1-piperidyl)propyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(2R)-2-(1-pi…

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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)	1.03	4.68	-39.06	4	5	1	64	265.381	4	↓ MOL2 SDF SMILES Flexibase

40335830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(2R)-2-(1-piperidyl)propyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(2R)-2-(1-pip…

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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)	1.41	6	-42.51	4	5	1	64	279.408	5	↓ MOL2 SDF SMILES Flexibase

40335831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(2S)-2-(1-piperidyl)propyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(2S)-2-(1-pip…

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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)	1.41	5.98	-42.4	4	5	1	64	279.408	5	↓ MOL2 SDF SMILES Flexibase

40335832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2R)-2-(1-piperidyl)propyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(2R)-2-(1-piperidyl)p…

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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)	1.91	6.83	-42.24	4	5	1	64	293.435	6	↓ MOL2 SDF SMILES Flexibase

40335833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(2S)-2-(1-piperidyl)propyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-(1-piperidyl)p…

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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)	1.91	6.52	-41.96	4	5	1	64	293.435	6	↓ MOL2 SDF SMILES Flexibase

40335834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[(2R)-2-(1-piperidyl)propyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(2R)-2-(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)	1.77	6.66	-42.06	4	5	1	64	293.435	5	↓ MOL2 SDF SMILES Flexibase

40335835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[(2S)-2-(1-piperidyl)propyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(2S)-2-(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)	1.77	6.74	-42.8	4	5	1	64	293.435	5	↓ MOL2 SDF SMILES Flexibase

53303956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[2-[(3S,5R)-3,5-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)	2.58	7.32	-53.2	3	5	1	66	320.457	5	↓ MOL2 SDF SMILES Flexibase

53303957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[2-[(3S,5S)-3,5-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)	2.58	7.33	-52.06	3	5	1	66	320.457	5	↓ MOL2 SDF SMILES Flexibase

53303958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-1H-pyrrole-2-carboxamide 4-acetyl-N-[2-[(3R,5R)-3,5-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)	2.58	7.34	-52.28	3	5	1	66	320.457	5	↓ MOL2 SDF SMILES Flexibase

60524339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]-1H-pyrrole-2-carboxamide N-[2-[(2S)-2-methyl-1-piperidyl]…

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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)	1.55	5.05	-41.99	3	4	1	49	236.339	4	↓ MOL2 SDF SMILES Flexibase

40770901

Analogs

49574382

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[2-(4-methyl-1-piperidyl)ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[2-(4-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)	1.68	6.14	-41.3	4	5	1	64	293.435	5	↓ MOL2 SDF SMILES Flexibase

40770903

Analogs

49574383

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(4-methyl-1-piperidyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[2-(4-methyl-1-piperid…

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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)	0.88	3.05	-45.2	5	5	1	75	251.354	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.43	1.21	-95.79	5	5	2	74	252.362	4	↓ MOL2 SDF SMILES Flexibase

40770905

Analogs

49574384

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[2-(4-methyl-1-piperidyl)ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[2-(4-methyl-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)	1.32	5.56	-41.16	4	5	1	64	279.408	5	↓ MOL2 SDF SMILES Flexibase

40770909

Analogs

49574386

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[2-(4-methyl-1-piperidyl)ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[2-(4-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)	0.94	4.68	-41.85	4	5	1	64	265.381	4	↓ MOL2 SDF SMILES Flexibase

40770911

Analogs

49574387

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(4-methyl-1-piperidyl)ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[2-(4-methyl-1-piperid…

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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)	1.82	6.31	-41.02	4	5	1	64	293.435	6	↓ MOL2 SDF SMILES Flexibase

48927508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-[(3S,5R)-3,5-d…

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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)	3.01	7.58	-46.96	3	4	1	49	343.289	4	↓ MOL2 SDF SMILES Flexibase

48927510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-[(3S,5S)-3,5-d…

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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)	3.01	7.62	-46	3	4	1	49	343.289	4	↓ MOL2 SDF SMILES Flexibase

48927512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-[(3R,5R)-3,5-d…

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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)	3.01	7.6	-46.38	3	4	1	49	343.289	4	↓ MOL2 SDF SMILES Flexibase

49378815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-methyl-N-[(2S)-2-(4-methyl-1-piperidyl)propyl]pyrrole-2-carboxamide 4-chloro-1-methyl-N-[(2S)-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	8.49	-46.88	2	4	1	38	298.838	4	↓ MOL2 SDF SMILES Flexibase

49378818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-methyl-N-[(2R)-2-(4-methyl-1-piperidyl)propyl]pyrrole-2-carboxamide 4-chloro-1-methyl-N-[(2R)-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	7.95	-39.72	2	4	1	38	298.838	4	↓ MOL2 SDF SMILES Flexibase

49378821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(2R)-2-(4-methyl-1-piperidyl)propyl]pyrrole-2-carboxamide 1,5-dimethyl-N-[(2R)-2-(4-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)	2.08	8.51	-44.61	2	4	1	38	278.42	4	↓ MOL2 SDF SMILES Flexibase

49378825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(2S)-2-(4-methyl-1-piperidyl)propyl]pyrrole-2-carboxamide 1,5-dimethyl-N-[(2S)-2-(4-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)	2.08	7.92	-39.78	2	4	1	38	278.42	4	↓ MOL2 SDF SMILES Flexibase

49401294

Analogs

37845340
37845339

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(2S)-2-(4-methyl-1-piperidyl)propyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(2S)-2-(4-methyl-1-pi…

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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	6.46	-45.76	3	4	1	49	329.262	4	↓ MOL2 SDF SMILES Flexibase

49401297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(2R)-2-(4-methyl-1-piperidyl)propyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(2R)-2-(4-methyl-1-pi…

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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	6.4	-46.06	3	4	1	49	329.262	4	↓ MOL2 SDF SMILES Flexibase

49574382

Analogs

40770901

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[2-(1-piperidyl)ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[2-(1-pipe…

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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)	1.44	5.52	-40.26	4	5	1	64	279.408	5	↓ MOL2 SDF SMILES Flexibase

49574383

Analogs

40770903

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(1-piperidyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[2-(1-piperidyl)ethyl]…

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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)	0.63	2.44	-44.22	5	5	1	75	237.327	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.19	1.8	-90.87	5	5	2	74	238.335	4	↓ MOL2 SDF SMILES Flexibase

49574384

Analogs

40770905

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[2-(1-piperidyl)ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[2-(1-piperidy…

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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)	1.08	4.94	-40.22	4	5	1	64	265.381	5	↓ MOL2 SDF SMILES Flexibase

49574386

Analogs

40770909

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[2-(1-piperidyl)ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[2-(1-piperid…

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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)	0.70	4.07	-40.9	4	5	1	64	251.354	4	↓ MOL2 SDF SMILES Flexibase

49574387

Analogs

40770911

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(1-piperidyl)ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[2-(1-piperidyl)ethyl]…

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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)	1.58	5.69	-40.03	4	5	1	64	279.408	6	↓ MOL2 SDF SMILES Flexibase

49575563

Analogs

40772698

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-ethyl-N-[2-(1-piperidyl)ethyl]pyrrole-2-carboxamide 4-bromo-1-ethyl-N-[2-(1-piperidy…

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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)	2.40	7.72	-40.09	2	4	1	38	329.262	5	↓ MOL2 SDF SMILES Flexibase

49575564

Analogs

40772701

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[2-(1-piperidyl)ethyl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[2-(1-piperidyl)ethyl]…

Find On: PubMed — Wikipedia — Google

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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	8.48	-39.83	2	4	1	38	343.289	6	↓ MOL2 SDF SMILES Flexibase

49575566

Analogs

40772703

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-isopropyl-N-[2-(1-piperidyl)ethyl]pyrrole-2-carboxamide 4-bromo-1-isopropyl-N-[2-(1-pipe…

Find On: PubMed — Wikipedia — Google

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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)	2.77	8.27	-40.07	2	4	1	38	343.289	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 17603
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 = 17603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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    });
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