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ZINC Item

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49628150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(m-tolyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(m-to…

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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	4.19	-13.09	2	4	0	62	266.3	2	↓ MOL2 SDF SMILES Flexibase

49628151

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(m-tolyl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(m-tol…

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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	4.96	-10.53	2	4	0	62	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628152

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,4-dimethylphenyl)-5-(3-hydr…

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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	5.09	-12.15	2	4	0	62	280.327	2	↓ MOL2 SDF SMILES Flexibase

49628163

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-phenyl-pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-pheny…

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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	3.53	-12.28	2	4	0	62	252.273	2	↓ MOL2 SDF SMILES Flexibase

49628164

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-phenyl-pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	4.3	-10.98	2	4	0	62	266.3	3	↓ MOL2 SDF SMILES Flexibase

49628207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenyl-pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	1.38	4.44	-12.49	1	4	0	53	266.3	2	↓ MOL2 SDF SMILES Flexibase

49628208

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-phenyl-pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	5.21	-11.31	1	4	0	53	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628258

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,5-dichlorophenyl)-5-(3-hydr…

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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	4.68	-10.42	2	4	0	62	321.163	2	↓ MOL2 SDF SMILES Flexibase

49628259

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(3-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)	1.55	4.54	-15.38	2	4	0	62	298.367	3	↓ MOL2 SDF SMILES Flexibase

49628260

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-chloro-4-methyl-phenyl)-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)	2.19	4.63	-14.09	2	4	0	62	300.745	2	↓ MOL2 SDF SMILES Flexibase

49628263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2-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)	1.15	2.97	-12.55	2	5	0	71	282.299	3	↓ MOL2 SDF SMILES Flexibase

49628272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-chloro-2-methyl-phenyl)-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)	2.17	4.82	-10.91	2	4	0	62	300.745	2	↓ MOL2 SDF SMILES Flexibase

49628273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,4-dichlorophenyl)-5-(3-hydr…

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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	4.68	-9.45	2	4	0	62	321.163	2	↓ MOL2 SDF SMILES Flexibase

49628276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(4-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)	1.57	4.54	-14.18	2	4	0	62	298.367	3	↓ MOL2 SDF SMILES Flexibase

49628279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,5-difluorophenyl)-5-(3-hydr…

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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	3.72	-11.73	2	4	0	62	288.253	2	↓ MOL2 SDF SMILES Flexibase

49628282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3,5-dichlorophenyl)-5-(3-hydr…

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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	4.57	-11.35	2	4	0	62	321.163	2	↓ MOL2 SDF SMILES Flexibase

49628285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3,4-dichlorophenyl)-5-(3-hydr…

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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	4.5	-11.16	2	4	0	62	321.163	2	↓ MOL2 SDF SMILES Flexibase

49628300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3,4-difluorophenyl)-5-(3-hydr…

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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	3.64	-12.14	2	4	0	62	288.253	2	↓ MOL2 SDF SMILES Flexibase

49628309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-phenyl-pyridine-3-carboxamide N-ethyl-5-(3-hydroxyprop-1-ynyl)…

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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	5.11	-11.71	1	4	0	53	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3,4-dimethylphenyl)-5-(3-hydr…

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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	4.75	-13.35	2	4	0	62	280.327	2	↓ MOL2 SDF SMILES Flexibase

49628316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-chlorophenyl)-5-(3-hydroxyp…

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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	4.06	-14.57	2	4	0	62	286.718	2	↓ MOL2 SDF SMILES Flexibase

49628317

Analogs

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Popular Name: N-(3-chlorophenyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(3-chlorophenyl)-5-(4-hydroxyb…

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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)	2.06	4.83	-11.96	2	4	0	62	300.745	3	↓ MOL2 SDF SMILES Flexibase

49628318

Analogs

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Popular Name: N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-fluorophenyl)-5-(3-hydroxyp…

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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)	1.28	3.61	-15.19	2	4	0	62	270.263	2	↓ MOL2 SDF SMILES Flexibase

49628319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(3-fluorophenyl)-5-(4-hydroxyb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	4.38	-13.21	2	4	0	62	284.29	3	↓ MOL2 SDF SMILES Flexibase

49628320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-chlorophenyl)-5-(3-hydroxyp…

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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	4.04	-12.06	2	4	0	62	286.718	2	↓ MOL2 SDF SMILES Flexibase

49628321

Analogs

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Popular Name: N-(4-chlorophenyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(4-chlorophenyl)-5-(4-hydroxyb…

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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	4.8	-10.69	2	4	0	62	300.745	3	↓ MOL2 SDF SMILES Flexibase

49628324

Analogs

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Popular Name: N-(2-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2-cyanophenyl)-5-(3-hydroxypr…

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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)	0.85	3.98	-11.95	2	5	0	86	277.283	2	↓ MOL2 SDF SMILES Flexibase

49628325

Analogs

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Popular Name: N-(3-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-cyanophenyl)-5-(3-hydroxypr…

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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)	0.87	3.91	-17.06	2	5	0	86	277.283	2	↓ MOL2 SDF SMILES Flexibase

49628326

Analogs

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Popular Name: N-(4-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-fluorophenyl)-5-(3-hydroxyp…

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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)	1.30	3.59	-12.51	2	4	0	62	270.263	2	↓ MOL2 SDF SMILES Flexibase

49628327

Analogs

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Popular Name: N-(4-fluorophenyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(4-fluorophenyl)-5-(4-hydroxyb…

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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)	1.57	4.35	-11.33	2	4	0	62	284.29	3	↓ MOL2 SDF SMILES Flexibase

49628328

Analogs

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Popular Name: N-(2-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2-chlorophenyl)-5-(3-hydroxyp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	4.17	-9.99	2	4	0	62	286.718	2	↓ MOL2 SDF SMILES Flexibase

49628329

Analogs

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Popular Name: N-(2-chlorophenyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(2-chlorophenyl)-5-(4-hydroxyb…

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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)	2.04	4.94	-8.68	2	4	0	62	300.745	3	↓ MOL2 SDF SMILES Flexibase

49628333

Analogs

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Popular Name: N-(2-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2-fluorophenyl)-5-(3-hydroxyp…

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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	3.65	-10.57	2	4	0	62	270.263	2	↓ MOL2 SDF SMILES Flexibase

49628334

Analogs

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Popular Name: N-(2-fluorophenyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-(2-fluorophenyl)-5-(4-hydroxyb…

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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)	1.53	4.42	-9.26	2	4	0	62	284.29	3	↓ MOL2 SDF SMILES Flexibase

49628348

Analogs

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Popular Name: N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-cyanophenyl)-5-(3-hydroxypr…

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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	3.93	-15.54	2	5	0	86	277.283	2	↓ MOL2 SDF SMILES Flexibase

49628350

Analogs

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Popular Name: N-(2,4-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,4-difluorophenyl)-5-(3-hydr…

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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	3.72	-9.49	2	4	0	62	288.253	2	↓ MOL2 SDF SMILES Flexibase

49628351

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3,5-dimethylphenyl)-5-(3-hydr…

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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	4.86	-12.91	2	4	0	62	280.327	2	↓ MOL2 SDF SMILES Flexibase

49628352

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(5-fluoro-2-methyl-phenyl)-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)	1.68	4.51	-15.23	2	4	0	62	284.29	2	↓ MOL2 SDF SMILES Flexibase

49628360

Analogs

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Popular Name: N-(4-ethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-ethylphenyl)-5-(3-hydroxypr…

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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)	2.06	4.97	-12.75	2	4	0	62	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628361

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-fluoro-4-methyl-phenyl)-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)	1.68	4.25	-14.75	2	4	0	62	284.29	2	↓ MOL2 SDF SMILES Flexibase

49628362

Analogs

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Popular Name: N-(2-ethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2-ethylphenyl)-5-(3-hydroxypr…

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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)	2.01	5.22	-11.5	2	4	0	62	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628375

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(4-fluoro-2-methyl-phenyl)-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)	1.68	4.5	-12.18	2	4	0	62	284.29	2	↓ MOL2 SDF SMILES Flexibase

49628376

Analogs

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Popular Name: N-(3,5-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3,5-difluorophenyl)-5-(3-hydr…

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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	3.67	-12.89	2	4	0	62	288.253	2	↓ MOL2 SDF SMILES Flexibase

49628377

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,6-dimethylphenyl)-5-(3-hydr…

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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	5.4	-12.42	2	4	0	62	280.327	2	↓ MOL2 SDF SMILES Flexibase

49628378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(3-ethylphenyl)-5-(3-hydroxypr…

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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	4.96	-11.85	2	4	0	62	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628394

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(3-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)	1.17	2.82	-15.32	2	5	0	71	282.299	3	↓ MOL2 SDF SMILES Flexibase

49628395

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,3-dimethylphenyl)-5-(3-hydr…

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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	4.96	-13.17	2	4	0	62	280.327	2	↓ MOL2 SDF SMILES Flexibase

49628396

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(p-tolyl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(p-to…

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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	4.19	-12.29	2	4	0	62	266.3	2	↓ MOL2 SDF SMILES Flexibase

49628397

Analogs

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Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(p-tolyl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(p-tol…

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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	4.97	-11.05	2	4	0	62	280.327	3	↓ MOL2 SDF SMILES Flexibase

49628398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(2,5-dimethylphenyl)-5-(3-hydr…

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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	5.05	-12.67	2	4	0	62	280.327	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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