ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36756780

Analogs

42871106
42871108
42871110
42871112

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylic 6-(cyclohexylmethylcarbamoyl)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)	1.89	5.88	-46.26	1	5	-1	82	261.301	4	↓ MOL2 SDF SMILES Flexibase

52341701

Analogs

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Popular Name: 3,6-dichloro-N-[(1S)-1-cyclohexylethyl]pyridine-2-carboxamide 3,6-dichloro-N-[(1S)-1-cyclohexy…

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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)	4.62	6.74	-5.85	1	3	0	42	301.217	3	↓ MOL2 SDF SMILES Flexibase

52341703

Analogs

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Popular Name: 3,6-dichloro-N-[(1R)-1-cyclohexylethyl]pyridine-2-carboxamide 3,6-dichloro-N-[(1R)-1-cyclohexy…

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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)	4.62	7.01	-5.89	1	3	0	42	301.217	3	↓ MOL2 SDF SMILES Flexibase

52341706

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-cyclohexylethyl]pyridine-2-carboxamide 4-chloro-N-[(1S)-1-cyclohexyleth…

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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)	3.60	6.31	-6.41	1	3	0	42	266.772	3	↓ MOL2 SDF SMILES Flexibase

52341707

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-cyclohexylethyl]pyridine-2-carboxamide 4-chloro-N-[(1R)-1-cyclohexyleth…

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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)	3.60	6.59	-6.54	1	3	0	42	266.772	3	↓ MOL2 SDF SMILES Flexibase

52341753

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-cyclohexylethyl]pyridine-2-carboxamide 6-chloro-N-[(1S)-1-cyclohexyleth…

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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)	3.60	6.24	-6.04	1	3	0	42	266.772	3	↓ MOL2 SDF SMILES Flexibase

52341755

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-cyclohexylethyl]pyridine-2-carboxamide 6-chloro-N-[(1R)-1-cyclohexyleth…

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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)	3.60	6.51	-6.05	1	3	0	42	266.772	3	↓ MOL2 SDF SMILES Flexibase

52341815

Analogs

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Popular Name: 3,6-dichloro-N-[(1S)-1-cyclohexylpropyl]pyridine-2-carboxamide 3,6-dichloro-N-[(1S)-1-cyclohexy…

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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)	5.15	7.71	-5.28	1	3	0	42	315.244	4	↓ MOL2 SDF SMILES Flexibase

52341817

Analogs

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Popular Name: 3,6-dichloro-N-[(1R)-1-cyclohexylpropyl]pyridine-2-carboxamide 3,6-dichloro-N-[(1R)-1-cyclohexy…

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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)	5.15	7.75	-5.21	1	3	0	42	315.244	4	↓ MOL2 SDF SMILES Flexibase

52341819

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-cyclohexylpropyl]pyridine-2-carboxamide 4-chloro-N-[(1S)-1-cyclohexylpro…

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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)	4.13	7.17	-6.01	1	3	0	42	280.799	4	↓ MOL2 SDF SMILES Flexibase

52341821

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-cyclohexylpropyl]pyridine-2-carboxamide 4-chloro-N-[(1R)-1-cyclohexylpro…

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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)	4.13	7.31	-5.8	1	3	0	42	280.799	4	↓ MOL2 SDF SMILES Flexibase

52341834

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-cyclohexylpropyl]pyridine-2-carboxamide 6-chloro-N-[(1S)-1-cyclohexylpro…

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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)	4.13	7.1	-5.54	1	3	0	42	280.799	4	↓ MOL2 SDF SMILES Flexibase

52341836

Analogs

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Popular Name: 6-chloro-N-[(1R)-1-cyclohexylpropyl]pyridine-2-carboxamide 6-chloro-N-[(1R)-1-cyclohexylpro…

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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)	4.13	7.24	-5.48	1	3	0	42	280.799	4	↓ MOL2 SDF SMILES Flexibase

52344605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-cyclohexylethyl]carbamoyl]pyridine-3-carboxylic 6-[[(1S)-1-cyclohexylethyl]carba…

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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)	2.16	6.36	-41.22	1	5	-1	82	275.328	4	↓ MOL2 SDF SMILES Flexibase

52344606

Analogs

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Popular Name: 6-[[(1R)-1-cyclohexylethyl]carbamoyl]pyridine-3-carboxylic 6-[[(1R)-1-cyclohexylethyl]carba…

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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)	2.16	6.65	-41.48	1	5	-1	82	275.328	4	↓ MOL2 SDF SMILES Flexibase

52344611

Analogs

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Popular Name: 6-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(1S)-1-cyclohexylethyl]carba…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	6.99	-42.36	1	5	-1	82	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344612

Analogs

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Popular Name: 6-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-methyl-pyridine-3-carboxylic 6-[[(1R)-1-cyclohexylethyl]carba…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	7.27	-42.62	1	5	-1	82	289.355	4	↓ MOL2 SDF SMILES Flexibase

52344627

Analogs

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Popular Name: 6-[[(1S)-1-cyclohexylpropyl]carbamoyl]pyridine-3-carboxylic 6-[[(1S)-1-cyclohexylpropyl]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)	2.69	7.25	-41.47	1	5	-1	82	289.355	5	↓ MOL2 SDF SMILES Flexibase

52344628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-cyclohexylpropyl]carbamoyl]pyridine-3-carboxylic 6-[[(1R)-1-cyclohexylpropyl]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)	2.69	7.37	-41.62	1	5	-1	82	289.355	5	↓ MOL2 SDF SMILES Flexibase

52344973

Analogs

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Popular Name: 3-chloro-N-[(1S)-1-cyclohexylethyl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(1S)-1-cyclohexyleth…

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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)	3.79	5.97	-7.62	2	4	0	54	295.814	4	↓ MOL2 SDF SMILES Flexibase

52344974

Analogs

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Popular Name: 3-chloro-N-[(1R)-1-cyclohexylethyl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(1R)-1-cyclohexyleth…

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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)	3.79	6.26	-7.76	2	4	0	54	295.814	4	↓ MOL2 SDF SMILES Flexibase

52344975

Analogs

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Popular Name: 3-chloro-N-[(1S)-1-cyclohexylethyl]-6-(ethylamino)pyridine-2-carboxamide 3-chloro-N-[(1S)-1-cyclohexyleth…

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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)	4.17	6.78	-7.09	2	4	0	54	309.841	5	↓ MOL2 SDF SMILES Flexibase

52344976

Analogs

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Popular Name: 3-chloro-N-[(1R)-1-cyclohexylethyl]-6-(ethylamino)pyridine-2-carboxamide 3-chloro-N-[(1R)-1-cyclohexyleth…

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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)	4.17	7.06	-7.17	2	4	0	54	309.841	5	↓ MOL2 SDF SMILES Flexibase

52344999

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-4-(methylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylethyl]-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)	2.77	4.63	-7.4	2	4	0	54	261.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.77	5.1	-34.26	3	4	1	55	262.377	4	↓ MOL2 SDF SMILES Flexibase

52345000

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-4-(methylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylethyl]-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)	2.77	4.9	-7.5	2	4	0	54	261.369	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.77	5.38	-34.51	3	4	1	55	262.377	4	↓ MOL2 SDF SMILES Flexibase

52345001

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-4-(ethylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylethyl]-4-(et…

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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)	3.15	5.44	-6.99	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	5.91	-34.21	3	4	1	55	276.404	5	↓ MOL2 SDF SMILES Flexibase

52345002

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-4-(ethylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylethyl]-4-(et…

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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)	3.15	5.71	-7.09	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	6.19	-34.49	3	4	1	55	276.404	5	↓ MOL2 SDF SMILES Flexibase

52345003

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-4-(propylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylethyl]-4-(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)	3.65	6.21	-6.75	2	4	0	54	289.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.65	6.68	-34.36	3	4	1	55	290.431	6	↓ MOL2 SDF SMILES Flexibase

52345004

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-4-(propylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylethyl]-4-(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)	3.65	6.48	-6.86	2	4	0	54	289.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.65	6.96	-34.69	3	4	1	55	290.431	6	↓ MOL2 SDF SMILES Flexibase

52345013

Analogs

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Popular Name: 6-amino-N-[(1S)-1-cyclohexylethyl]pyridine-2-carboxamide 6-amino-N-[(1S)-1-cyclohexylethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	4.56	-7.44	3	4	0	68	247.342	3	↓ MOL2 SDF SMILES Flexibase

52345014

Analogs

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Popular Name: 6-amino-N-[(1R)-1-cyclohexylethyl]pyridine-2-carboxamide 6-amino-N-[(1R)-1-cyclohexylethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	4.83	-7.51	3	4	0	68	247.342	3	↓ MOL2 SDF SMILES Flexibase

52345015

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-(methylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylethyl]-6-(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)	2.78	5.47	-7.26	2	4	0	54	261.369	4	↓ MOL2 SDF SMILES Flexibase

52345016

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-(methylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylethyl]-6-(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)	2.78	5.74	-7.31	2	4	0	54	261.369	4	↓ MOL2 SDF SMILES Flexibase

52345017

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-(ethylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylethyl]-6-(et…

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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)	3.15	6.27	-6.73	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase

52345018

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-(ethylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylethyl]-6-(et…

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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)	3.15	6.54	-6.84	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase

52345019

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-(propylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylethyl]-6-(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)	3.66	7.03	-6.56	2	4	0	54	289.423	6	↓ MOL2 SDF SMILES Flexibase

52345020

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-(propylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylethyl]-6-(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)	3.66	7.31	-6.54	2	4	0	54	289.423	6	↓ MOL2 SDF SMILES Flexibase

52345023

Analogs

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Popular Name: 6-amino-3-chloro-N-[(1S)-1-cyclohexylethyl]pyridine-2-carboxamide 6-amino-3-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)	3.42	5.06	-8.06	3	4	0	68	281.787	3	↓ MOL2 SDF SMILES Flexibase

52345024

Analogs

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Popular Name: 6-amino-3-chloro-N-[(1R)-1-cyclohexylethyl]pyridine-2-carboxamide 6-amino-3-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)	3.42	5.34	-8.11	3	4	0	68	281.787	3	↓ MOL2 SDF SMILES Flexibase

52345029

Analogs

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Popular Name: 4-amino-N-[(1S)-1-cyclohexylethyl]pyridine-2-carboxamide 4-amino-N-[(1S)-1-cyclohexylethy…

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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	3.7	-7.59	3	4	0	68	247.342	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.99	4.17	-35.25	4	4	1	69	248.35	3	↓ MOL2 SDF SMILES Flexibase

52345030

Analogs

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Popular Name: 4-amino-N-[(1R)-1-cyclohexylethyl]pyridine-2-carboxamide 4-amino-N-[(1R)-1-cyclohexylethy…

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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	3.97	-7.73	3	4	0	68	247.342	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.99	4.46	-35.5	4	4	1	69	248.35	3	↓ MOL2 SDF SMILES Flexibase

52345049

Analogs

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Popular Name: 3-chloro-N-[(1S)-1-cyclohexylpropyl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(1S)-1-cyclohexylpro…

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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)	4.33	6.94	-6.94	2	4	0	54	309.841	5	↓ MOL2 SDF SMILES Flexibase

52345050

Analogs

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Popular Name: 3-chloro-N-[(1R)-1-cyclohexylpropyl]-6-(methylamino)pyridine-2-carboxamide 3-chloro-N-[(1R)-1-cyclohexylpro…

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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)	4.33	6.98	-6.93	2	4	0	54	309.841	5	↓ MOL2 SDF SMILES Flexibase

52345063

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-4-(methylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylpropyl]-4-(m…

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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)	3.31	5.49	-6.88	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.31	5.97	-34.16	3	4	1	55	276.404	5	↓ MOL2 SDF SMILES Flexibase

52345064

Analogs

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Popular Name: N-[(1R)-1-cyclohexylpropyl]-4-(methylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylpropyl]-4-(m…

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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)	3.31	5.62	-6.72	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.31	6.09	-33.83	3	4	1	55	276.404	5	↓ MOL2 SDF SMILES Flexibase

52345065

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-4-(ethylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylpropyl]-4-(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)	3.69	6.31	-6.48	2	4	0	54	289.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.69	6.8	-34.17	3	4	1	55	290.431	6	↓ MOL2 SDF SMILES Flexibase

52345066

Analogs

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Popular Name: N-[(1R)-1-cyclohexylpropyl]-4-(ethylamino)pyridine-2-carboxamide N-[(1R)-1-cyclohexylpropyl]-4-(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)	3.69	6.44	-6.26	2	4	0	54	289.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.69	6.91	-33.84	3	4	1	55	290.431	6	↓ MOL2 SDF SMILES Flexibase

52345073

Analogs

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Popular Name: 6-amino-N-[(1S)-1-cyclohexylpropyl]pyridine-2-carboxamide 6-amino-N-[(1S)-1-cyclohexylprop…

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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)	2.94	5.42	-6.93	3	4	0	68	261.369	4	↓ MOL2 SDF SMILES Flexibase

52345074

Analogs

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Popular Name: 6-amino-N-[(1R)-1-cyclohexylpropyl]pyridine-2-carboxamide 6-amino-N-[(1R)-1-cyclohexylprop…

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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)	2.94	5.55	-6.77	3	4	0	68	261.369	4	↓ MOL2 SDF SMILES Flexibase

52345075

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-6-(methylamino)pyridine-2-carboxamide N-[(1S)-1-cyclohexylpropyl]-6-(m…

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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)	3.31	6.32	-6.77	2	4	0	54	275.396	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 111993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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