ZINC 12

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40767284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(benzylamino)-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-(benzylamino)-2-oxo-ethyl]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)	1.94	4.77	-14.09	2	6	0	76	308.341	5	↓ MOL2 SDF SMILES Flexibase

40767287

Analogs

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Popular Name: N-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(2-chlorophenyl)methylamin…

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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)	2.57	5.19	-14.73	2	6	0	76	342.786	5	↓ MOL2 SDF SMILES Flexibase

40767290

Analogs

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Popular Name: N-[2-oxo-2-(p-tolylmethylamino)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-oxo-2-(p-tolylmethylamino)e…

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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)	2.38	5.45	-14.11	2	6	0	76	322.368	5	↓ MOL2 SDF SMILES Flexibase

40767292

Analogs

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Popular Name: N-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-fluorophenyl)methylamin…

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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	4.84	-14.81	2	6	0	76	326.331	5	↓ MOL2 SDF SMILES Flexibase

40767295

Analogs

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Popular Name: N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-methoxyphenyl)methylami…

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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)	1.99	4.07	-15.44	2	7	0	85	338.367	6	↓ MOL2 SDF SMILES Flexibase

40767319

Analogs

40767321

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Popular Name: N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-oxo-2-[[(1S)-1-phenylethyl]…

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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)	2.49	5.62	-14.43	2	6	0	76	322.368	5	↓ MOL2 SDF SMILES Flexibase

40767321

Analogs

40767319

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-oxo-2-[[(1R)-1-phenylethyl]…

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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)	2.49	5.62	-14.44	2	6	0	76	322.368	5	↓ MOL2 SDF SMILES Flexibase

40767323

Analogs

40767326
40767332

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Popular Name: N-[2-[benzyl(methyl)amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[benzyl(methyl)amino]-2-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)	1.68	6.85	-15.71	1	6	0	67	322.368	5	↓ MOL2 SDF SMILES Flexibase

40767326

Analogs

40767332
40767323

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Popular Name: N-[2-[benzyl(ethyl)amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[benzyl(ethyl)amino]-2-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)	2.05	7.76	-15.2	1	6	0	67	336.395	6	↓ MOL2 SDF SMILES Flexibase

40767329

Analogs

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Popular Name: N-[2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-methoxyphenyl)methyl-me…

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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	6.14	-16.76	1	7	0	76	352.394	6	↓ MOL2 SDF SMILES Flexibase

40767335

Analogs

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Popular Name: N-[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-fluorophenyl)methyl-met…

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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)	1.84	6.91	-16.33	1	6	0	67	340.358	5	↓ MOL2 SDF SMILES Flexibase

40767338

Analogs

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Popular Name: N-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(3,4-dimethoxyphenyl)methy…

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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)	1.33	6.04	-19.83	1	8	0	85	382.42	7	↓ MOL2 SDF SMILES Flexibase

40767340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-chlorophenyl)methyl-met…

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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	7.37	-15.73	1	6	0	67	356.813	5	↓ MOL2 SDF SMILES Flexibase

40767342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(2-fluorophenyl)methyl-met…

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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)	1.79	6.86	-18.73	1	6	0	67	340.358	5	↓ MOL2 SDF SMILES Flexibase

40767344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(3-fluorophenyl)methyl-met…

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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	6.91	-18.37	1	6	0	67	340.358	5	↓ MOL2 SDF SMILES Flexibase

40767500

Analogs

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Popular Name: N-[2-(o-tolylmethylamino)-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-(o-tolylmethylamino)-2-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)	2.34	5.57	-13.98	2	6	0	76	322.368	5	↓ MOL2 SDF SMILES Flexibase

40767503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(m-tolylmethylamino)-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-(m-tolylmethylamino)-2-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)	2.36	5.44	-14.13	2	6	0	76	322.368	5	↓ MOL2 SDF SMILES Flexibase

40767506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-chlorophenyl)methylamin…

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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	5.3	-14.35	2	6	0	76	342.786	5	↓ MOL2 SDF SMILES Flexibase

40767509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(3-chlorophenyl)methylamin…

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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)	2.59	5.28	-14.53	2	6	0	76	342.786	5	↓ MOL2 SDF SMILES Flexibase

40767512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(2-fluorophenyl)methylamin…

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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	4.79	-15.54	2	6	0	76	326.331	5	↓ MOL2 SDF SMILES Flexibase

40767515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3-fluorophenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(3-fluorophenyl)methylamin…

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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)	2.07	4.84	-15.12	2	6	0	76	326.331	5	↓ MOL2 SDF SMILES Flexibase

40767517

Analogs

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Popular Name: N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(2-methoxyphenyl)methylami…

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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)	1.94	4.11	-15.58	2	7	0	85	338.367	6	↓ MOL2 SDF SMILES Flexibase

40767518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(3-methoxyphenyl)methylami…

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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	4.07	-15.6	2	7	0	85	338.367	6	↓ MOL2 SDF SMILES Flexibase

40767521

Analogs

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Popular Name: N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(3,4-dimethoxyphenyl)methy…

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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	3.97	-17.76	2	8	0	94	368.393	7	↓ MOL2 SDF SMILES Flexibase

40767533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-ethoxyphenyl)methylamino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[(4-ethoxyphenyl)methylamin…

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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)	2.37	5	-15.24	2	7	0	85	352.394	7	↓ MOL2 SDF SMILES Flexibase

40769649

Analogs

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Popular Name: N-[2-[benzyl(2-hydroxyethyl)amino]-2-oxo-ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide N-[2-[benzyl(2-hydroxyethyl)amin…

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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)	1.05	4.78	-18	2	7	0	87	352.394	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 516747
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 = 516747 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=516747&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "516747"        

    });
</script>

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