ZINC 12

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)	0.66	4.04	-52.66	4	4	1	70	258.345	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.66	3.64	-9.21	3	4	0	68	257.337	3	↓ MOL2 SDF SMILES Flexibase

36110443

Analogs

34627424

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Popular Name: N-[(1-hydroxycyclopentyl)methyl]pyridine-3-carboxamide N-[(1-hydroxycyclopentyl)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)	0.73	1.53	-9.05	2	4	0	62	220.272	3	↓ MOL2 SDF SMILES Flexibase

36112756

Analogs

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Popular Name: N-(cyclopentylmethyl)pyridine-3-carboxamide N-(cyclopentylmethyl)pyridine-3-…

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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	4.53	-7.66	1	3	0	42	204.273	3	↓ MOL2 SDF SMILES Flexibase

66443194

Analogs

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Popular Name: N-[(1-methylcyclopentyl)methyl]-2-thioxo-1H-pyridine-3-carboxamide N-[(1-methylcyclopentyl)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)	2.60	5.7	-59.46	1	3	-1	42	249.359	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.60	5.16	-11.12	1	3	0	42	250.367	3	↓ MOL2 SDF SMILES Flexibase

69837436

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-2-hydrazino-pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-2-hy…

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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)	1.54	4.27	-9.24	4	5	0	80	248.33	4	↓ MOL2 SDF SMILES Flexibase

69837438

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-2-hydrazino-pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-2-hy…

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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)	1.54	4.18	-9.33	4	5	0	80	248.33	4	↓ MOL2 SDF SMILES Flexibase

69837440

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-6-hydrazino-pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-6-hy…

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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	4.09	-9.47	4	5	0	80	248.33	4	↓ MOL2 SDF SMILES Flexibase

69837441

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-6-hydrazino-pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-6-hy…

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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	3.88	-9.52	4	5	0	80	248.33	4	↓ MOL2 SDF SMILES Flexibase

70305010

Analogs

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Popular Name: 5-amino-N-[(1S)-1-cyclopentylethyl]-2-methyl-pyridine-3-carboxamide 5-amino-N-[(1S)-1-cyclopentyleth…

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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)	2.02	3.97	-9.17	3	4	0	68	247.342	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.02	4.38	-33.29	4	4	1	69	248.35	3	↓ MOL2 SDF SMILES Flexibase

70305011

Analogs

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Popular Name: 5-amino-N-[(1R)-1-cyclopentylethyl]-2-methyl-pyridine-3-carboxamide 5-amino-N-[(1R)-1-cyclopentyleth…

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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)	2.02	3.76	-9.17	3	4	0	68	247.342	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.02	4.17	-33.43	4	4	1	69	248.35	3	↓ MOL2 SDF SMILES Flexibase

70307113

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-6-fluoro-pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-6-fl…

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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	5.39	-7.33	1	3	0	42	236.29	3	↓ MOL2 SDF SMILES Flexibase

70307114

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-6-fluoro-pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-6-fl…

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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	5.17	-7.43	1	3	0	42	236.29	3	↓ MOL2 SDF SMILES Flexibase

70307173

Analogs

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Popular Name: 5-bromo-2-chloro-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 5-bromo-2-chloro-N-[(1S)-1-cyclo…

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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)	3.93	6.5	-7.6	1	3	0	42	331.641	3	↓ MOL2 SDF SMILES Flexibase

70307174

Analogs

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Popular Name: 5-bromo-2-chloro-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 5-bromo-2-chloro-N-[(1R)-1-cyclo…

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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)	3.93	6.28	-7.61	1	3	0	42	331.641	3	↓ MOL2 SDF SMILES Flexibase

70307191

Analogs

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Popular Name: 5,6-dichloro-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 5,6-dichloro-N-[(1S)-1-cyclopent…

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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)	3.63	6.34	-6.72	1	3	0	42	287.19	3	↓ MOL2 SDF SMILES Flexibase

70307192

Analogs

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Popular Name: 5,6-dichloro-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 5,6-dichloro-N-[(1R)-1-cyclopent…

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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)	3.63	6.12	-6.78	1	3	0	42	287.19	3	↓ MOL2 SDF SMILES Flexibase

70307215

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 6-chloro-N-[(1S)-1-cyclopentylet…

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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)	3.03	5.87	-6.89	1	3	0	42	252.745	3	↓ MOL2 SDF SMILES Flexibase

70307216

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 6-chloro-N-[(1R)-1-cyclopentylet…

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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)	3.03	5.65	-6.92	1	3	0	42	252.745	3	↓ MOL2 SDF SMILES Flexibase

70308197

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 5-bromo-N-[(1S)-1-cyclopentyleth…

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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)	2.96	6.06	-6.89	1	3	0	42	297.196	3	↓ MOL2 SDF SMILES Flexibase

70308198

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 5-bromo-N-[(1R)-1-cyclopentyleth…

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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)	2.96	5.84	-6.99	1	3	0	42	297.196	3	↓ MOL2 SDF SMILES Flexibase

70308325

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5-hydroxy-pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-5-hy…

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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)	1.93	3.81	-20.75	2	4	0	66	234.299	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	3.34	-45.54	1	4	-1	65	233.291	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	2.58	-8.97	2	4	0	62	234.299	3	↓ MOL2 SDF SMILES Flexibase

70308326

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5-hydroxy-pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-5-hy…

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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)	1.93	3.6	-20.75	2	4	0	66	234.299	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.93	3.13	-45.51	1	4	-1	65	233.291	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	2.37	-9.03	2	4	0	62	234.299	3	↓ MOL2 SDF SMILES Flexibase

70309039

Analogs

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Popular Name: 5-[[(1S)-1-cyclopentylethyl]carbamoyl]pyridine-2-carboxylic 5-[[(1S)-1-cyclopentylethyl]carb…

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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)	1.65	6	-48.52	1	5	-1	82	261.301	4	↓ MOL2 SDF SMILES Flexibase

70309040

Analogs

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Popular Name: 5-[[(1R)-1-cyclopentylethyl]carbamoyl]pyridine-2-carboxylic 5-[[(1R)-1-cyclopentylethyl]carb…

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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)	1.65	5.79	-48.52	1	5	-1	82	261.301	4	↓ MOL2 SDF SMILES Flexibase

70309091

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-5-(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)	1.83	5.02	-9.82	2	4	0	62	286.375	4	↓ MOL2 SDF SMILES Flexibase

70309092

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-5-(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)	1.83	4.81	-9.6	2	4	0	62	286.375	4	↓ MOL2 SDF SMILES Flexibase

70309117

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-5-(3…

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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	4.25	-11.12	2	4	0	62	272.348	3	↓ MOL2 SDF SMILES Flexibase

70309118

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-5-(3…

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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	4.04	-11.98	2	4	0	62	272.348	3	↓ MOL2 SDF SMILES Flexibase

70309145

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-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)	0.99	4.96	-51.9	4	4	1	70	272.372	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.99	4.55	-9.09	3	4	0	68	271.364	3	↓ MOL2 SDF SMILES Flexibase

70309146

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1R)-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)	0.99	4.75	-51.84	4	4	1	70	272.372	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.99	4.34	-9.7	3	4	0	68	271.364	3	↓ MOL2 SDF SMILES Flexibase

70309237

Analogs

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Popular Name: (E)-3-[5-[[(1S)-1-cyclopentylethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1S)-1-cyclopentyleth…

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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)	1.78	7.28	-50.88	1	5	-1	82	287.339	5	↓ MOL2 SDF SMILES Flexibase

70309238

Analogs

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Popular Name: (E)-3-[5-[[(1R)-1-cyclopentylethyl]carbamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[[(1R)-1-cyclopentyleth…

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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)	1.78	7.07	-50.9	1	5	-1	82	287.339	5	↓ MOL2 SDF SMILES Flexibase

70309305

Analogs

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Popular Name: 5-chloro-N-[(1S)-1-cyclopentylethyl]-6-(ethylamino)pyridine-3-carboxamide 5-chloro-N-[(1S)-1-cyclopentylet…

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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)	3.19	6.78	-7.62	2	4	0	54	295.814	5	↓ MOL2 SDF SMILES Flexibase

70309306

Analogs

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Popular Name: 5-chloro-N-[(1R)-1-cyclopentylethyl]-6-(ethylamino)pyridine-3-carboxamide 5-chloro-N-[(1R)-1-cyclopentylet…

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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)	3.19	6.57	-7.72	2	4	0	54	295.814	5	↓ MOL2 SDF SMILES Flexibase

70309335

Analogs

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Popular Name: 2-amino-5-bromo-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 2-amino-5-bromo-N-[(1S)-1-cyclop…

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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)	2.73	5.03	-5.35	3	4	0	68	312.211	3	↓ MOL2 SDF SMILES Flexibase

70309336

Analogs

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Popular Name: 2-amino-5-bromo-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 2-amino-5-bromo-N-[(1R)-1-cyclop…

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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)	2.73	4.96	-5.35	3	4	0	68	312.211	3	↓ MOL2 SDF SMILES Flexibase

70309337

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-6-(ethylamino)pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-6-(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)	2.58	5.91	-8.08	2	4	0	54	261.369	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	6.38	-36.99	3	4	1	55	262.377	5	↓ MOL2 SDF SMILES Flexibase

70309338

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-6-(ethylamino)pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-6-(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)	2.58	5.7	-8.12	2	4	0	54	261.369	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	6.17	-37.23	3	4	1	55	262.377	5	↓ MOL2 SDF SMILES Flexibase

70309339

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-6-(propylamino)pyridine-3-carboxamide N-[(1S)-1-cyclopentylethyl]-6-(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)	3.08	6.67	-7.85	2	4	0	54	275.396	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	7.15	-37.35	3	4	1	55	276.404	6	↓ MOL2 SDF SMILES Flexibase

70309340

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-6-(propylamino)pyridine-3-carboxamide N-[(1R)-1-cyclopentylethyl]-6-(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)	3.08	6.46	-7.87	2	4	0	54	275.396	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	6.94	-37.59	3	4	1	55	276.404	6	↓ MOL2 SDF SMILES Flexibase

70309357

Analogs

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Popular Name: 6-amino-N-[(1S)-1-cyclopentylethyl]pyridine-3-carboxamide 6-amino-N-[(1S)-1-cyclopentyleth…

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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)	1.83	4.19	-8.68	3	4	0	68	233.315	3	↓ MOL2 SDF SMILES Flexibase

70309358

Analogs

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Popular Name: 6-amino-N-[(1R)-1-cyclopentylethyl]pyridine-3-carboxamide 6-amino-N-[(1R)-1-cyclopentyleth…

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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)	1.83	3.98	-8.72	3	4	0	68	233.315	3	↓ MOL2 SDF SMILES Flexibase

70309359

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclopentylethyl]-2-(propylamino)pyridine-3-carboxamide 5-bromo-N-[(1S)-1-cyclopentyleth…

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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)	3.99	8.04	-5.33	2	4	0	54	354.292	6	↓ MOL2 SDF SMILES Flexibase

70309360

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-cyclopentylethyl]-2-(propylamino)pyridine-3-carboxamide 5-bromo-N-[(1R)-1-cyclopentyleth…

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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)	3.99	7.74	-5.43	2	4	0	54	354.292	6	↓ MOL2 SDF SMILES Flexibase

70309391

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclopentylethyl]-2-(methylamino)pyridine-3-carboxamide 5-bromo-N-[(1S)-1-cyclopentyleth…

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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)	3.11	6.22	-5.71	2	4	0	54	326.238	4	↓ MOL2 SDF SMILES Flexibase

70309392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1R)-1-cyclopentylethyl]-2-(methylamino)pyridine-3-carboxamide 5-bromo-N-[(1R)-1-cyclopentyleth…

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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)	3.11	6.16	-5.76	2	4	0	54	326.238	4	↓ MOL2 SDF SMILES Flexibase

70309393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(1S)-1-cyclopentylethyl]-2-(ethylamino)pyridine-3-carboxamide 5-bromo-N-[(1S)-1-cyclopentyleth…

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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)	3.48	7.28	-5.56	2	4	0	54	340.265	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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