ZINC 12

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ZINC Item

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65311183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-isopentyl-1-(3-oxo-4H-pyridazi…

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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)	1.22	3.29	-19.84	2	6	0	78	292.383	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.68	1.6	-55.57	1	6	-1	81	291.375	5	↓ MOL2 SDF SMILES Flexibase

65311187

Analogs

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Popular Name: N-(1-ethylpropyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-(1-ethylpropyl)-1-(3-oxo-4H-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)	1.31	3.62	-19.04	2	6	0	78	292.383	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.77	1.94	-55.17	1	6	-1	81	291.375	5	↓ MOL2 SDF SMILES Flexibase

65311191

Analogs

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Popular Name: N-(3-isopropoxypropyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-(3-isopropoxypropyl)-1-(3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.56	2.78	-20.21	2	7	0	87	322.409	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.02	1.09	-56.22	1	7	-1	90	321.401	7	↓ MOL2 SDF SMILES Flexibase

65311194

Analogs

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Popular Name: N-[(1R)-1-methylpropyl]-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-[(1R)-1-methylpropyl]-1-(3-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.78	3.01	-17.13	2	6	0	78	278.356	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.23	1.32	-58.49	1	6	-1	81	277.348	4	↓ MOL2 SDF SMILES Flexibase

65311195

Analogs

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Popular Name: N-[(1S)-1-methylpropyl]-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-[(1S)-1-methylpropyl]-1-(3-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.78	3.01	-19.83	2	6	0	78	278.356	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.23	1.32	-55.79	1	6	-1	81	277.348	4	↓ MOL2 SDF SMILES Flexibase

65311221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-butyl-N-methyl-1-(3-oxo-4H-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)	1.25	4.66	-20.45	1	6	0	69	292.383	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.71	2.97	-56.93	0	6	-1	72	291.375	5	↓ MOL2 SDF SMILES Flexibase

65311227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-1-(3-oxo-4H-pyridazin-5-yl)piperidine-4-carboxamide N-isobutyl-1-(3-oxo-4H-pyridazin…

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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)	0.69	2.76	-19.76	2	6	0	78	278.356	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.15	1.08	-55.49	1	6	-1	81	277.348	4	↓ MOL2 SDF SMILES Flexibase

65311230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(3-oxo-4H-pyridazin-5-yl)-N-propyl-piperidine-4-carboxamide N-methyl-1-(3-oxo-4H-pyridazin-5…

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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)	0.69	3.88	-20.46	1	6	0	69	278.356	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.15	2.19	-56.92	0	6	-1	72	277.348	4	↓ MOL2 SDF SMILES Flexibase

65311261

Analogs

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Popular Name: N,N-dimethyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N,N-dimethyl-1-(1-methyl-6-oxo-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)	-0.15	3.78	-21.52	0	6	0	58	264.329	2	↓ MOL2 SDF SMILES Flexibase

65311262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N-isopentyl-1-(1-methyl-6-oxo-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)	1.70	4.89	-20.25	1	6	0	67	306.41	5	↓ MOL2 SDF SMILES Flexibase

65311267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isopropoxypropyl)-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N-(3-isopropoxypropyl)-1-(1-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)	1.04	4.38	-20.62	1	7	0	76	336.436	7	↓ MOL2 SDF SMILES Flexibase

65311269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methyl-6-oxo-pyridazin-4-yl)-N-[(1R)-1-methylpropyl]piperidine-4-carboxamide 1-(1-methyl-6-oxo-pyridazin-4-yl…

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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	4.61	-20.71	1	6	0	67	292.383	4	↓ MOL2 SDF SMILES Flexibase

65311270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methyl-6-oxo-pyridazin-4-yl)-N-[(1S)-1-methylpropyl]piperidine-4-carboxamide 1-(1-methyl-6-oxo-pyridazin-4-yl…

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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	4.61	-20.22	1	6	0	67	292.383	4	↓ MOL2 SDF SMILES Flexibase

65311277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N-(3-ethoxypropyl)-1-(1-methyl-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	3.64	-20.68	1	7	0	76	322.409	7	↓ MOL2 SDF SMILES Flexibase

65311297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N-butyl-N-methyl-1-(1-methyl-6-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	6.27	-20.88	0	6	0	58	306.41	5	↓ MOL2 SDF SMILES Flexibase

65311299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N-(2-methoxyethyl)-1-(1-methyl-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.03	1.91	-18.86	1	7	0	76	294.355	5	↓ MOL2 SDF SMILES Flexibase

65311304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-4-carboxamide N-isobutyl-1-(1-methyl-6-oxo-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)	1.17	4.37	-20.14	1	6	0	67	292.383	4	↓ MOL2 SDF SMILES Flexibase

65311333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-oxo-1-propyl-pyridazin-4-yl)-N-propyl-piperidine-4-carboxamide 1-(6-oxo-1-propyl-pyridazin-4-yl…

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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)	1.80	5.27	-20.24	1	6	0	67	306.41	6	↓ MOL2 SDF SMILES Flexibase

65311334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N,N-dimethyl-1-(6-oxo-1-propyl-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)	0.73	5.29	-18.62	0	6	0	58	292.383	4	↓ MOL2 SDF SMILES Flexibase

65311335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-isopentyl-1-(6-oxo-1-propyl-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)	2.58	6.54	-17.72	1	6	0	67	334.464	7	↓ MOL2 SDF SMILES Flexibase

65311340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-ethylpropyl)-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-(1-ethylpropyl)-1-(6-oxo-1-pro…

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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)	2.67	6.87	-16.92	1	6	0	67	334.464	7	↓ MOL2 SDF SMILES Flexibase

65311342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-methyl-1-(6-oxo-1-propyl-pyrid…

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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)	0.93	3.66	-18.44	1	6	0	67	278.356	4	↓ MOL2 SDF SMILES Flexibase

65311345

Analogs

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Popular Name: N-(3-isopropoxypropyl)-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-(3-isopropoxypropyl)-1-(6-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.92	6.03	-18.4	1	7	0	76	364.49	9	↓ MOL2 SDF SMILES Flexibase

65311357

Analogs

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Popular Name: N-(3-ethoxypropyl)-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-(3-ethoxypropyl)-1-(6-oxo-1-pr…

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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	5.28	-18.54	1	7	0	76	350.463	9	↓ MOL2 SDF SMILES Flexibase

65311384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-butyl-N-methyl-1-(6-oxo-1-prop…

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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)	2.61	7.92	-20.72	0	6	0	58	334.464	7	↓ MOL2 SDF SMILES Flexibase

65311388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-(2-methoxyethyl)-1-(6-oxo-1-pr…

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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)	0.91	3.58	-18.51	1	7	0	76	322.409	7	↓ MOL2 SDF SMILES Flexibase

65311393

Analogs

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Popular Name: N-isobutyl-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-isobutyl-1-(6-oxo-1-propyl-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)	2.05	6.01	-17.73	1	6	0	67	320.437	6	↓ MOL2 SDF SMILES Flexibase

65311397

Analogs

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Popular Name: N-methyl-1-(6-oxo-1-propyl-pyridazin-4-yl)-N-propyl-piperidine-4-carboxamide N-methyl-1-(6-oxo-1-propyl-pyrid…

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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)	2.05	7.05	-18.38	0	6	0	58	320.437	6	↓ MOL2 SDF SMILES Flexibase

65311411

Analogs

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Popular Name: N-butyl-1-(6-oxo-1-propyl-pyridazin-4-yl)piperidine-4-carboxamide N-butyl-1-(6-oxo-1-propyl-pyrida…

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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)	2.36	6.04	-20.11	1	6	0	67	320.437	7	↓ MOL2 SDF SMILES Flexibase

65313423

Analogs

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Popular Name: (3R)-N-(1-ethylpropyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3R)-N-(1-ethylpropyl)-1-(3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.31	3.59	-17.29	2	6	0	78	292.383	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.77	1.91	-57.49	1	6	-1	81	291.375	5	↓ MOL2 SDF SMILES Flexibase

65313424

Analogs

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Popular Name: (3S)-N-(1-ethylpropyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3S)-N-(1-ethylpropyl)-1-(3-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.31	3.59	-12.79	2	6	0	78	292.383	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.77	1.91	-52.87	1	6	-1	81	291.375	5	↓ MOL2 SDF SMILES Flexibase

65313465

Analogs

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Popular Name: (3R)-N-(3-methoxypropyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3R)-N-(3-methoxypropyl)-1-(3-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.18	1.03	-18.54	2	7	0	87	294.355	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.28	-0.65	-58	1	7	-1	90	293.347	6	↓ MOL2 SDF SMILES Flexibase

65313466

Analogs

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Popular Name: (3S)-N-(3-methoxypropyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3S)-N-(3-methoxypropyl)-1-(3-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.18	1.03	-14.45	2	7	0	87	294.355	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.28	-0.65	-53.86	1	7	-1	90	293.347	6	↓ MOL2 SDF SMILES Flexibase

65313543

Analogs

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Popular Name: (3R)-N-(2-methoxyethyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3R)-N-(2-methoxyethyl)-1-(3-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.45	0.28	-17.9	2	7	0	87	280.328	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.01	-1.4	-57.31	1	7	-1	90	279.32	5	↓ MOL2 SDF SMILES Flexibase

65313544

Analogs

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Popular Name: (3S)-N-(2-methoxyethyl)-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3S)-N-(2-methoxyethyl)-1-(3-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.45	0.28	-14.05	2	7	0	87	280.328	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.01	-1.4	-54.18	1	7	-1	90	279.32	5	↓ MOL2 SDF SMILES Flexibase

65313599

Analogs

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Popular Name: (3R)-N-butyl-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3R)-N-butyl-1-(3-oxo-4H-pyridaz…

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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	2.74	-17.91	2	6	0	78	278.356	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.46	1.06	-57.51	1	6	-1	81	277.348	5	↓ MOL2 SDF SMILES Flexibase

65313600

Analogs

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Popular Name: (3S)-N-butyl-1-(3-oxo-4H-pyridazin-5-yl)piperidine-3-carboxamide (3S)-N-butyl-1-(3-oxo-4H-pyridaz…

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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	2.74	-13.45	2	6	0	78	278.356	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.46	1.06	-52.98	1	6	-1	81	277.348	5	↓ MOL2 SDF SMILES Flexibase

65313655

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-3-carboxamide (3S)-N,N-dimethyl-1-(1-methyl-6-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.15	3.7	-16.19	0	6	0	58	264.329	2	↓ MOL2 SDF SMILES Flexibase

65313656

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-3-carboxamide (3R)-N,N-dimethyl-1-(1-methyl-6-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.15	3.82	-16.03	0	6	0	58	264.329	2	↓ MOL2 SDF SMILES Flexibase

65313681

Analogs

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Popular Name: (3R)-N-methyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-3-carboxamide (3R)-N-methyl-1-(1-methyl-6-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.05	1.98	-18.96	1	6	0	67	250.302	2	↓ MOL2 SDF SMILES Flexibase

65313682

Analogs

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Popular Name: (3S)-N-methyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-3-carboxamide (3S)-N-methyl-1-(1-methyl-6-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.05	1.99	-19.31	1	6	0	67	250.302	2	↓ MOL2 SDF SMILES Flexibase

65313721

Analogs

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Popular Name: (3R)-N-ethyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-3-carboxamide (3R)-N-ethyl-1-(1-methyl-6-oxo-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)	0.42	2.81	-18.53	1	6	0	67	264.329	3	↓ MOL2 SDF SMILES Flexibase

65313722

Analogs

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Popular Name: (3S)-N-ethyl-1-(1-methyl-6-oxo-pyridazin-4-yl)piperidine-3-carboxamide (3S)-N-ethyl-1-(1-methyl-6-oxo-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)	0.42	2.82	-18.85	1	6	0	67	264.329	3	↓ MOL2 SDF SMILES Flexibase

48962985

Analogs

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Popular Name: N-[[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-piperidyl]methyl]acetamide N-[[1-(5-chloro-6-oxo-1H-pyridaz…

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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)	0.21	2.2	-15.47	2	6	0	78	284.747	3	↓ MOL2 SDF SMILES Flexibase

48963010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(5-chloro-1-methyl-6-oxo-pyridazin-4-yl)-4-piperidyl]methyl]acetamide N-[[1-(5-chloro-1-methyl-6-oxo-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)	0.69	3.79	-15.72	1	6	0	67	298.774	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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