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ZINC Item

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62033634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-N-methyl-1-(4-piperidyl)pyrrole-2-carboxamide N-(3-methoxypropyl)-N-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)	0.68	5.58	-46.25	2	5	1	51	280.392	6	↓ MOL2 SDF SMILES Flexibase

54441451

Analogs

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Popular Name: 1-[1-(3-methylbut-2-enoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3-methylbut-2-enoyl)-4-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)	2.15	8.66	-51	0	5	-1	65	275.328	3	↓ MOL2 SDF SMILES Flexibase

54441454

Analogs

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Popular Name: 1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3,3-dimethylbutanoyl)-4-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)	2.45	9.27	-50.51	0	5	-1	65	291.371	4	↓ MOL2 SDF SMILES Flexibase

54441458

Analogs

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Popular Name: 1-[1-(2,2-dimethylpropanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2,2-dimethylpropanoyl)-4-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)	2.17	8.04	-50.88	0	5	-1	65	277.344	3	↓ MOL2 SDF SMILES Flexibase

54441462

Analogs

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Popular Name: 1-[1-(2-methylpropanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-methylpropanoyl)-4-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)	1.60	7.89	-51.51	0	5	-1	65	263.317	3	↓ MOL2 SDF SMILES Flexibase

54441476

Analogs

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Popular Name: 1-[1-(3-methylbutanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3-methylbutanoyl)-4-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)	2.12	8.76	-51.24	0	5	-1	65	277.344	4	↓ MOL2 SDF SMILES Flexibase

54441526

Analogs

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Popular Name: 1-[1-(3,3,3-trifluoropropanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3,3,3-trifluoropropanoyl)-…

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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)	1.67	7.82	-53.74	0	5	-1	65	303.26	4	↓ MOL2 SDF SMILES Flexibase

54441529

Analogs

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Popular Name: 1-[1-[(2R)-2-methylbutanoyl]-4-piperidyl]pyrrole-2-carboxylic 1-[1-[(2R)-2-methylbutanoyl]-4-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)	2.10	8.49	-50.88	0	5	-1	65	277.344	4	↓ MOL2 SDF SMILES Flexibase

54441533

Analogs

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Popular Name: 1-[1-[(2S)-2-methylbutanoyl]-4-piperidyl]pyrrole-2-carboxylic 1-[1-[(2S)-2-methylbutanoyl]-4-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)	2.10	8.55	-51.38	0	5	-1	65	277.344	4	↓ MOL2 SDF SMILES Flexibase

54441536

Analogs

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Popular Name: 1-[1-(2-methoxyacetyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-methoxyacetyl)-4-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)	0.46	6.77	-54.11	0	6	-1	75	265.289	4	↓ MOL2 SDF SMILES Flexibase

54441545

Analogs

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Popular Name: 1-(1-pentanoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-pentanoyl-4-piperidyl)pyrro…

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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)	2.42	8.93	-51.67	0	5	-1	65	277.344	5	↓ MOL2 SDF SMILES Flexibase

54441548

Analogs

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Popular Name: 1-(1-butanoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-butanoyl-4-piperidyl)pyrrol…

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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	8.15	-51.61	0	5	-1	65	263.317	4	↓ MOL2 SDF SMILES Flexibase

54441554

Analogs

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Popular Name: 1-[1-(2-ethylbutanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-ethylbutanoyl)-4-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)	2.60	9.15	-50.69	0	5	-1	65	291.371	5	↓ MOL2 SDF SMILES Flexibase

54441558

Analogs

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Popular Name: 1-[1-(2-acetamidoacetyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-acetamidoacetyl)-4-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)	-0.38	5.02	-52.97	1	7	-1	94	292.315	4	↓ MOL2 SDF SMILES Flexibase

54441562

Analogs

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Popular Name: 1-[1-[(Z)-2-methylpent-2-enoyl]-4-piperidyl]pyrrole-2-carboxylic 1-[1-[(Z)-2-methylpent-2-enoyl]-…

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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)	2.42	9.2	-51.79	0	5	-1	65	289.355	4	↓ MOL2 SDF SMILES Flexibase

54441568

Analogs

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Popular Name: 1-(1-prop-2-ynoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-prop-2-ynoyl-4-piperidyl)py…

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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	7.06	-52.81	0	5	-1	65	245.258	2	↓ MOL2 SDF SMILES Flexibase

54441571

Analogs

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Popular Name: 1-[1-[(E)-but-2-enoyl]-4-piperidyl]pyrrole-2-carboxylic 1-[1-[(E)-but-2-enoyl]-4-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)	1.37	7.97	-51.57	0	5	-1	65	261.301	3	↓ MOL2 SDF SMILES Flexibase

54441573

Analogs

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Popular Name: 1-[1-[(2E,4E)-hexa-2,4-dienoyl]-4-piperidyl]pyrrole-2-carboxylic 1-[1-[(2E,4E)-hexa-2,4-dienoyl]-…

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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)	1.89	9.4	-51.8	0	5	-1	65	287.339	4	↓ MOL2 SDF SMILES Flexibase

54441581

Analogs

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Popular Name: 1-[1-(4-methylpentanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(4-methylpentanoyl)-4-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)	2.40	9.45	-51.4	0	5	-1	65	291.371	5	↓ MOL2 SDF SMILES Flexibase

54441584

Analogs

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Popular Name: 1-[1-(2-ethoxyacetyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-ethoxyacetyl)-4-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)	0.83	7.73	-54.03	0	6	-1	75	279.316	5	↓ MOL2 SDF SMILES Flexibase

54441592

Analogs

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Popular Name: 1-[1-(2-methylsulfanylacetyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-methylsulfanylacetyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.00	7.86	-53.13	0	5	-1	65	281.357	4	↓ MOL2 SDF SMILES Flexibase

54441595

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	9.26	-50.89	0	5	-1	65	291.371	5	↓ MOL2 SDF SMILES Flexibase

54441599

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	9.24	-50.38	0	5	-1	65	291.371	5	↓ MOL2 SDF SMILES Flexibase

54441602

Analogs

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Popular Name: 1-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3-methylsulfanylpropanoyl)…

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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)	1.27	8.62	-50.78	0	5	-1	65	295.384	5	↓ MOL2 SDF SMILES Flexibase

54441606

Analogs

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Popular Name: 1-(1-hexanoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-hexanoyl-4-piperidyl)pyrrol…

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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)	2.92	9.71	-51.56	0	5	-1	65	291.371	6	↓ MOL2 SDF SMILES Flexibase

54441612

Analogs

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Popular Name: 1-[1-[2-(cyanomethylsulfanyl)acetyl]-4-piperidyl]pyrrole-2-carboxylic 1-[1-[2-(cyanomethylsulfanyl)ace…

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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)	0.78	8.5	-59.85	0	6	-1	89	306.367	5	↓ MOL2 SDF SMILES Flexibase

54441617

Analogs

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Popular Name: 1-[1-(2-isopropylsulfanylacetyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2-isopropylsulfanylacetyl)…

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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)	1.74	9.39	-52.69	0	5	-1	65	309.411	5	↓ MOL2 SDF SMILES Flexibase

54441633

Analogs

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Popular Name: 1-(1-prop-2-enoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-prop-2-enoyl-4-piperidyl)py…

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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)	1.12	7.09	-51.82	0	5	-1	65	247.274	3	↓ MOL2 SDF SMILES Flexibase

54441637

Analogs

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Popular Name: 1-[1-(2,2-dimethylbutanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2,2-dimethylbutanoyl)-4-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)	2.51	8.55	-50.88	0	5	-1	65	291.371	4	↓ MOL2 SDF SMILES Flexibase

54441641

Analogs

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Popular Name: 1-[1-(3-methoxypropanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3-methoxypropanoyl)-4-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)	0.73	6.46	-51.04	0	6	-1	75	279.316	5	↓ MOL2 SDF SMILES Flexibase

54441645

Analogs

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Popular Name: 1-[1-(3-ethoxypropanoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(3-ethoxypropanoyl)-4-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)	1.10	7.42	-51.01	0	6	-1	75	293.343	6	↓ MOL2 SDF SMILES Flexibase

54441649

Analogs

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Popular Name: 1-(1-pent-4-enoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-pent-4-enoyl-4-piperidyl)py…

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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)	1.90	8.71	-51.37	0	5	-1	65	275.328	5	↓ MOL2 SDF SMILES Flexibase

54441653

Analogs

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Popular Name: 1-(1-but-3-enoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-but-3-enoyl-4-piperidyl)pyr…

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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	7.92	-51.8	0	5	-1	65	261.301	4	↓ MOL2 SDF SMILES Flexibase

54441658

Analogs

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Popular Name: 1-[1-(2,2,2-trifluoroacetyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(2,2,2-trifluoroacetyl)-4-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)	1.40	6.91	-46.56	0	5	-1	65	289.233	3	↓ MOL2 SDF SMILES Flexibase

54441669

Analogs

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Popular Name: 1-(1-formyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-formyl-4-piperidyl)pyrrole-…

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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)	0.54	6	-52.92	0	5	-1	65	221.236	2	↓ MOL2 SDF SMILES Flexibase

54441676

Analogs

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Popular Name: 1-(1-isobutoxycarbonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-isobutoxycarbonyl-4-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)	2.35	8.83	-48.7	0	6	-1	75	293.343	5	↓ MOL2 SDF SMILES Flexibase

54441679

Analogs

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Popular Name: 1-(1-methoxycarbonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-methoxycarbonyl-4-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)	1.00	6.44	-49.25	0	6	-1	75	251.262	3	↓ MOL2 SDF SMILES Flexibase

54441682

Analogs

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Popular Name: 1-(1-carbamoyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-carbamoyl-4-piperidyl)pyrro…

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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)	0.43	4.03	-51.95	2	6	-1	91	236.251	2	↓ MOL2 SDF SMILES Flexibase

54441687

Analogs

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Popular Name: 1-[1-(isopropylcarbamoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(isopropylcarbamoyl)-4-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)	2.03	7.18	-51.96	1	6	-1	77	278.332	3	↓ MOL2 SDF SMILES Flexibase

54441694

Analogs

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Popular Name: 1-[1-(butylcarbamoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(butylcarbamoyl)-4-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)	2.79	7.9	-51.57	1	6	-1	77	292.359	5	↓ MOL2 SDF SMILES Flexibase

54441697

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Popular Name: 1-[1-(propylcarbamoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(propylcarbamoyl)-4-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)	2.23	7.13	-51.73	1	6	-1	77	278.332	4	↓ MOL2 SDF SMILES Flexibase

54441700

Analogs

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Popular Name: 1-[1-(tert-butylcarbamoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(tert-butylcarbamoyl)-4-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)	2.54	7.56	-51.56	1	6	-1	77	292.359	3	↓ MOL2 SDF SMILES Flexibase

54441704

Analogs

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Popular Name: 1-[1-(ethylcarbamoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(ethylcarbamoyl)-4-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)	1.73	6.36	-51.94	1	6	-1	77	264.305	3	↓ MOL2 SDF SMILES Flexibase

54441708

Analogs

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Popular Name: 1-(1-isopropoxycarbonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-isopropoxycarbonyl-4-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)	1.74	8.09	-49.26	0	6	-1	75	279.316	4	↓ MOL2 SDF SMILES Flexibase

54441712

Analogs

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Popular Name: 1-(1-methylsulfonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-methylsulfonyl-4-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)	0.53	4.22	-52.98	0	6	-1	82	271.318	3	↓ MOL2 SDF SMILES Flexibase

54441716

Analogs

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Popular Name: 1-(1-propylsulfonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-propylsulfonyl-4-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)	1.40	5.91	-51.98	0	6	-1	82	299.372	5	↓ MOL2 SDF SMILES Flexibase

54441720

Analogs

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Popular Name: 1-[1-(dimethylsulfamoyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(dimethylsulfamoyl)-4-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)	0.53	4.61	-51.02	0	7	-1	86	300.36	4	↓ MOL2 SDF SMILES Flexibase

54441722

Analogs

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Popular Name: 1-(1-butylsulfonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-butylsulfonyl-4-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)	1.96	6.69	-51.91	0	6	-1	82	313.399	6	↓ MOL2 SDF SMILES Flexibase

54441726

Analogs

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Popular Name: 1-(1-ethylsulfonyl-4-piperidyl)pyrrole-2-carboxylic 1-(1-ethylsulfonyl-4-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)	0.90	5.12	-52.24	0	6	-1	82	285.345	4	↓ MOL2 SDF SMILES Flexibase

54441730

Analogs

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Popular Name: 1-[1-(difluoromethylsulfonyl)-4-piperidyl]pyrrole-2-carboxylic 1-[1-(difluoromethylsulfonyl)-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	4.62	-51.24	0	6	-1	82	307.298	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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