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ZINC Item

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35623708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-[[(3S)-3-hydroxy-1-piperidyl]s…

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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)	-0.65	-1.24	-14.24	2	7	0	92	301.368	3	↓ MOL2 SDF SMILES Flexibase

35623710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-[[(3R)-3-hydroxy-1-piperidyl]s…

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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)	-0.65	-1.22	-14.35	2	7	0	92	301.368	3	↓ MOL2 SDF SMILES Flexibase

35624011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic 4-[[(3S)-3-hydroxy-1-piperidyl]s…

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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)	-0.27	1.02	-53.85	1	7	-1	103	287.317	3	↓ MOL2 SDF SMILES Flexibase

35624012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic 4-[[(3R)-3-hydroxy-1-piperidyl]s…

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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)	-0.27	1.05	-54.37	1	7	-1	103	287.317	3	↓ MOL2 SDF SMILES Flexibase

35624014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-hydroxy-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylic 4-[[(3S)-3-hydroxy-1-piperidyl]s…

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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)	-0.34	-0.6	-50.11	2	7	-1	114	273.29	3	↓ MOL2 SDF SMILES Flexibase

35624015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-hydroxy-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylic 4-[[(3R)-3-hydroxy-1-piperidyl]s…

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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)	-0.34	-0.57	-50.86	2	7	-1	114	273.29	3	↓ MOL2 SDF SMILES Flexibase

19998812

Analogs

37838208
37838883

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-carbamoyl-1-piperidyl)sulfonyl]-1H-pyrrole-2-carboxylic 4-[(4-carbamoyl-1-piperidyl)sulf…

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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)	-0.59	-1.6	-62.71	3	8	-1	136	300.316	4	↓ MOL2 SDF SMILES Flexibase

36133299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic 4-[[(2R)-2-(hydroxymethyl)-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)	0.24	3.04	-50.57	1	7	-1	103	301.344	4	↓ MOL2 SDF SMILES Flexibase

36133300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic 4-[[(2S)-2-(hydroxymethyl)-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)	0.24	2.99	-53.51	1	7	-1	103	301.344	4	↓ MOL2 SDF SMILES Flexibase

36133302

Analogs

37836885
37838242
37838724

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylic 4-[[(2R)-2-(hydroxymethyl)-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)	0.17	1.37	-52.22	2	7	-1	114	287.317	4	↓ MOL2 SDF SMILES Flexibase

36133303

Analogs

37836885
37838242
37838724

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylic 4-[[(2S)-2-(hydroxymethyl)-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)	0.17	1.42	-50.1	2	7	-1	114	287.317	4	↓ MOL2 SDF SMILES Flexibase

36133685

Analogs

37838208
37838883

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(methylcarbamoyl)-1-piperidyl]sulfonyl]-1H-pyrrole-2-carboxylic 4-[[4-(methylcarbamoyl)-1-piperi…

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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)	-0.22	0.95	-55.82	2	8	-1	122	314.343	4	↓ MOL2 SDF SMILES Flexibase

36753620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine 1-(1H-pyrrol-3-ylsulfonyl)piperi…

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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)	-0.64	-0.46	-53.32	4	5	1	81	230.313	2	↓ MOL2 SDF SMILES Flexibase

36753621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-amine 1-(1-methylpyrrol-3-yl)sulfonylp…

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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)	-0.57	1.3	-53.35	3	5	1	70	244.34	2	↓ MOL2 SDF SMILES Flexibase

36753647

Analogs

46795832
46795835
26744220
32770738

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-amino-1-piperidyl)sulfonyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-[(4-amino-1-piperidyl)sulfonyl…

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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)	-1.14	-0.63	-58.35	4	7	1	99	301.392	3	↓ MOL2 SDF SMILES Flexibase

36753775

Analogs

44759534
44759566
44759568
44760162
44760164

Draw Identity 99% 90% 80% 70%

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

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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)	-1.51	-2.12	-58.23	5	7	1	113	287.365	3	↓ MOL2 SDF SMILES Flexibase

36863832

Analogs

37837942

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-1-propyl-pyrrole-2-carboxylic 4-[(4-methyl-1-piperidyl)sulfony…

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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)	2.00	6.65	-52.68	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36863834

Analogs

37837942
37838390

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[(4-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)	1.50	5.89	-52.3	0	6	-1	82	299.372	4	↓ MOL2 SDF SMILES Flexibase

36863835

Analogs

37837943

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrrole-2-carboxylic 1-isopropyl-4-[(4-methyl-1-piper…

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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)	1.86	6.43	-52.54	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36863872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]-1-propyl-pyrrole-2-carboxylic 4-[[(2S)-2-methyl-1-piperidyl]su…

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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)	2.09	6.62	-52.18	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36863873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]-1-propyl-pyrrole-2-carboxylic 4-[[(2R)-2-methyl-1-piperidyl]su…

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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)	2.09	6.54	-52.83	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36863876

Analogs

37836992

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(2S)-2-methyl-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)	1.59	5.86	-51.82	0	6	-1	82	299.372	4	↓ MOL2 SDF SMILES Flexibase

36863877

Analogs

37836992

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(2R)-2-methyl-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)	1.59	5.79	-52.52	0	6	-1	82	299.372	4	↓ MOL2 SDF SMILES Flexibase

36863878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-isopropyl-4-[[(2R)-2-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)	1.95	6.34	-52.89	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36863879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-isopropyl-4-[[(2S)-2-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)	1.95	6.39	-52.14	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36863940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-1-propyl-pyrrole-2-carboxylic 4-[[(3S)-3-methyl-1-piperidyl]su…

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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)	2.00	6.6	-53.54	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36863941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-1-propyl-pyrrole-2-carboxylic 4-[[(3R)-3-methyl-1-piperidyl]su…

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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)	2.00	6.64	-52.87	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36863944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(3S)-3-methyl-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)	1.50	5.84	-53.19	0	6	-1	82	299.372	4	↓ MOL2 SDF SMILES Flexibase

36863945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(3R)-3-methyl-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)	1.50	5.88	-52.57	0	6	-1	82	299.372	4	↓ MOL2 SDF SMILES Flexibase

36863946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-isopropyl-4-[[(3R)-3-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)	1.86	6.4	-52.84	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36863947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-isopropyl-4-[[(3S)-3-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)	1.86	6.43	-52.44	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36863980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1-piperidylsulfonyl)-1-propyl-pyrrole-2-carboxylic 4-(1-piperidylsulfonyl)-1-propyl…

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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	6.01	-53.31	0	6	-1	82	299.372	5	↓ MOL2 SDF SMILES Flexibase

36863982

Analogs

37836816

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxylic 1-ethyl-4-(1-piperidylsulfonyl)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)	1.26	5.25	-52.98	0	6	-1	82	285.345	4	↓ MOL2 SDF SMILES Flexibase

36863983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxylic 1-isopropyl-4-(1-piperidylsulfon…

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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)	1.62	5.81	-53.24	0	6	-1	82	299.372	4	↓ MOL2 SDF SMILES Flexibase

36864004

Analogs

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Popular Name: 4-[(4-hydroxy-1-piperidyl)sulfonyl]-1-propyl-pyrrole-2-carboxylic 4-[(4-hydroxy-1-piperidyl)sulfon…

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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)	-0.12	2.7	-53.99	1	7	-1	103	315.371	5	↓ MOL2 SDF SMILES Flexibase

36864006

Analogs

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Popular Name: 1-ethyl-4-[(4-hydroxy-1-piperidyl)sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[(4-hydroxy-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)	-0.62	1.94	-53.7	1	7	-1	103	301.344	4	↓ MOL2 SDF SMILES Flexibase

36864007

Analogs

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Popular Name: 4-[(4-hydroxy-1-piperidyl)sulfonyl]-1-isopropyl-pyrrole-2-carboxylic 4-[(4-hydroxy-1-piperidyl)sulfon…

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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)	-0.26	2.5	-53.94	1	7	-1	103	315.371	4	↓ MOL2 SDF SMILES Flexibase

36864041

Analogs

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Popular Name: 4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(3S,5R)-3,5-dimethyl-1-piper…

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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)	1.97	6.46	-52.18	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36864042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(3S,5S)-3,5-dimethyl-1-piper…

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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)	1.97	6.41	-52.86	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36864043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(3R,5R)-3,5-dimethyl-1-piper…

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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)	1.97	6.41	-52.53	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36864049

Analogs

37836992

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(2S,6R)-2,6-dimethyl-1-piper…

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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)	1.92	6.67	-52.05	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36864050

Analogs

37836992

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(2S,6S)-2,6-dimethyl-1-piper…

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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)	1.92	6.34	-51.78	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36864051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(2R,6R)-2,6-dimethyl-1-piper…

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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)	1.92	6.28	-53.04	0	6	-1	82	313.399	4	↓ MOL2 SDF SMILES Flexibase

36864173

Analogs

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Popular Name: 1-ethyl-4-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[4-(hydroxymethyl)-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)	0.49	2.58	-54.77	1	7	-1	103	315.371	5	↓ MOL2 SDF SMILES Flexibase

36864204

Analogs

37836992

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(2R)-2-ethyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(2R)-2-ethyl-1-piper…

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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)	2.12	6.3	-52.23	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36864205

Analogs

37836992

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(2S)-2-ethyl-1-piper…

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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)	2.12	6.45	-52.65	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36864406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(2R)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(2R)-2-(hydroxymethy…

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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)	0.61	3.9	-51.32	1	7	-1	103	315.371	5	↓ MOL2 SDF SMILES Flexibase

36864407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(2S)-2-(hydroxymethyl)-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(2S)-2-(hydroxymethy…

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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)	0.61	3.86	-54.38	1	7	-1	103	315.371	5	↓ MOL2 SDF SMILES Flexibase

36864424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3R)-3-ethyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(3R)-3-ethyl-1-piper…

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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)	2.00	6.48	-52.52	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

36864425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-4-[[(3S)-3-ethyl-1-piperidyl]sulfonyl]pyrrole-2-carboxylic 1-ethyl-4-[[(3S)-3-ethyl-1-piper…

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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)	2.00	6.51	-52.15	0	6	-1	82	313.399	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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