ZINC 12

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ZINC Item

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44243070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-bromo-3-pyridyl)sulfonylamino]-2-cyclohexyl-acetic (2S)-2-[(5-bromo-3-pyridyl)sulfo…

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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)	0.96	4.23	-39.89	1	6	-1	99	376.252	5	↓ MOL2 SDF SMILES Flexibase

44243071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-bromo-3-pyridyl)sulfonylamino]-2-cyclohexyl-acetic (2R)-2-[(5-bromo-3-pyridyl)sulfo…

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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)	0.96	4.1	-51.13	1	6	-1	99	376.252	5	↓ MOL2 SDF SMILES Flexibase

44243178

Analogs

20467641
20467642
20467643
20467644

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(R)-cyano(cyclohexyl)methyl]pyridine-3-sulfonamide 5-bromo-N-[(R)-cyano(cyclohexyl)…

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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)	2.95	3.65	-12.92	1	5	0	83	358.261	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.95	3.38	-36.24	0	5	-1	85	357.253	4	↓ MOL2 SDF SMILES Flexibase

44243179

Analogs

20467641
20467642
20467643
20467644

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(S)-cyano(cyclohexyl)methyl]pyridine-3-sulfonamide 5-bromo-N-[(S)-cyano(cyclohexyl)…

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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)	2.95	3.9	-10.18	1	5	0	83	358.261	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.95	3.5	-35.75	0	5	-1	85	357.253	4	↓ MOL2 SDF SMILES Flexibase

44243233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5-bromo-3-pyridyl)sulfonylamino]-2-cyclohexyl-thioacetamide (2S)-2-[(5-bromo-3-pyridyl)sulfo…

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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)	2.08	2.87	-11.27	3	5	0	85	392.344	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.08	2.63	-38.93	2	5	-1	87	391.336	5	↓ MOL2 SDF SMILES Flexibase

44243235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-bromo-3-pyridyl)sulfonylamino]-2-cyclohexyl-thioacetamide (2R)-2-[(5-bromo-3-pyridyl)sulfo…

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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)	2.08	2.91	-14.81	3	5	0	85	392.344	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.08	2.64	-39.85	2	5	-1	87	391.336	5	↓ MOL2 SDF SMILES Flexibase

44243575

Analogs

36266719
36266819
36298723
36298725

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-aminocyclohexyl)methyl]-5-bromo-pyridine-3-sulfonamide N-[(1-aminocyclohexyl)methyl]-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)	2.28	0.84	-53.77	4	5	1	87	349.274	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.28	0.41	-36.25	3	5	0	89	348.266	4	↓ MOL2 SDF SMILES Flexibase

50654000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-6-(methylamino)pyridine-3-sulfonamide N-(cyclohexylmethyl)-6-(methylam…

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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	2.75	-9.66	2	5	0	71	283.397	5	↓ MOL2 SDF SMILES Flexibase

50654003

Analogs

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Popular Name: N-(cyclohexylmethyl)-6-(ethylamino)pyridine-3-sulfonamide N-(cyclohexylmethyl)-6-(ethylami…

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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)	2.80	3.55	-9.16	2	5	0	71	297.424	6	↓ MOL2 SDF SMILES Flexibase

50654005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-6-(propylamino)pyridine-3-sulfonamide N-(cyclohexylmethyl)-6-(propylam…

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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)	3.30	4.31	-8.88	2	5	0	71	311.451	7	↓ MOL2 SDF SMILES Flexibase

50654018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-2-(methylamino)pyridine-3-sulfonamide N-(cyclohexylmethyl)-2-(methylam…

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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)	2.20	3.5	-9.58	2	5	0	71	283.397	5	↓ MOL2 SDF SMILES Flexibase

50654020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-2-(ethylamino)pyridine-3-sulfonamide N-(cyclohexylmethyl)-2-(ethylami…

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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	4.32	-9.33	2	5	0	71	297.424	6	↓ MOL2 SDF SMILES Flexibase

50654024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-2-(propylamino)pyridine-3-sulfonamide N-(cyclohexylmethyl)-2-(propylam…

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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	5.09	-9.19	2	5	0	71	311.451	7	↓ MOL2 SDF SMILES Flexibase

50654042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(cyclohexylmethyl)-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-(cyclohexylmethyl)-2-(…

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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)	3.16	4.09	-8.11	2	5	0	71	362.293	5	↓ MOL2 SDF SMILES Flexibase

50654044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-(cyclohexylmethyl)pyridine-3-sulfonamide 6-amino-N-(cyclohexylmethyl)pyri…

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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	1.84	-9.73	3	5	0	85	269.37	4	↓ MOL2 SDF SMILES Flexibase

50654050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(cyclohexylmethyl)pyridine-3-sulfonamide 2-amino-N-(cyclohexylmethyl)pyri…

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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	2.24	-9.34	3	5	0	85	269.37	4	↓ MOL2 SDF SMILES Flexibase

50654060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-(cyclohexylmethyl)pyridine-3-sulfonamide 2-amino-5-bromo-N-(cyclohexylmet…

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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)	2.79	2.88	-7.98	3	5	0	85	348.266	4	↓ MOL2 SDF SMILES Flexibase

52341878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1S)-1-cyclohexylethyl]pyridine-3-sulfonamide 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)	3.57	3.86	-8.62	1	4	0	59	302.827	4	↓ MOL2 SDF SMILES Flexibase

52341879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-cyclohexylethyl]pyridine-3-sulfonamide 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)	3.57	3.92	-8.61	1	4	0	59	302.827	4	↓ MOL2 SDF SMILES Flexibase

52341896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-1-cyclohexylethyl]pyridine-3-sulfonamide 2-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)	3.36	3.91	-9.51	1	4	0	59	302.827	4	↓ MOL2 SDF SMILES Flexibase

52341897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-cyclohexylethyl]pyridine-3-sulfonamide 2-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)	3.36	4.03	-9.53	1	4	0	59	302.827	4	↓ MOL2 SDF SMILES Flexibase

52341915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-[(1S)-1-cyclohexylethyl]pyridine-3-sulfonamide 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)	4.31	4.51	-6.53	1	4	0	59	381.723	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.31	4.54	-36.92	0	4	-1	61	380.715	4	↓ MOL2 SDF SMILES Flexibase

52341917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-chloro-N-[(1R)-1-cyclohexylethyl]pyridine-3-sulfonamide 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)	4.31	4.63	-6.56	1	4	0	59	381.723	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.31	4.69	-35.83	0	4	-1	61	380.715	4	↓ MOL2 SDF SMILES Flexibase

52341919

Analogs

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Popular Name: 6-chloro-N-[(1S)-1-cyclohexylpropyl]pyridine-3-sulfonamide 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)	4.11	4.84	-8.37	1	4	0	59	316.854	5	↓ MOL2 SDF SMILES Flexibase

52341921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(1R)-1-cyclohexylpropyl]pyridine-3-sulfonamide 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)	4.11	4.91	-8.66	1	4	0	59	316.854	5	↓ MOL2 SDF SMILES Flexibase

52341935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-1-cyclohexylpropyl]pyridine-3-sulfonamide 2-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)	3.89	4.69	-9.67	1	4	0	59	316.854	5	↓ MOL2 SDF SMILES Flexibase

52341937

Analogs

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Popular Name: 2-chloro-N-[(1R)-1-cyclohexylpropyl]pyridine-3-sulfonamide 2-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)	3.89	4.9	-9.74	1	4	0	59	316.854	5	↓ MOL2 SDF SMILES Flexibase

52343955

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-hydrazino-pyridine-3-sulfonamide N-[(1S)-1-cyclohexylethyl]-6-hyd…

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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)	2.14	2.09	-10.71	4	6	0	97	298.412	5	↓ MOL2 SDF SMILES Flexibase

52343957

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-hydrazino-pyridine-3-sulfonamide N-[(1R)-1-cyclohexylethyl]-6-hyd…

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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)	2.14	2.13	-10.69	4	6	0	97	298.412	5	↓ MOL2 SDF SMILES Flexibase

52343962

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-2-hydrazino-pyridine-3-sulfonamide N-[(1S)-1-cyclohexylethyl]-2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.92	2.54	-10.45	4	6	0	97	298.412	5	↓ MOL2 SDF SMILES Flexibase

52343964

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-2-hydrazino-pyridine-3-sulfonamide N-[(1R)-1-cyclohexylethyl]-2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.92	2.67	-10.76	4	6	0	97	298.412	5	↓ MOL2 SDF SMILES Flexibase

52343977

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclohexylethyl]-2-hydrazino-pyridine-3-sulfonamide 5-bromo-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)	2.88	3.11	-8.09	4	6	0	97	377.308	5	↓ MOL2 SDF SMILES Flexibase

52343979

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-cyclohexylethyl]-2-hydrazino-pyridine-3-sulfonamide 5-bromo-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)	2.88	3.25	-8.35	4	6	0	97	377.308	5	↓ MOL2 SDF SMILES Flexibase

52343981

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-6-hydrazino-pyridine-3-sulfonamide N-[(1S)-1-cyclohexylpropyl]-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)	2.67	3.05	-10.5	4	6	0	97	312.439	6	↓ MOL2 SDF SMILES Flexibase

52343983

Analogs

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Popular Name: N-[(1R)-1-cyclohexylpropyl]-6-hydrazino-pyridine-3-sulfonamide N-[(1R)-1-cyclohexylpropyl]-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)	2.67	3.13	-10.86	4	6	0	97	312.439	6	↓ MOL2 SDF SMILES Flexibase

52343987

Analogs

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Popular Name: N-[(1S)-1-cyclohexylpropyl]-2-hydrazino-pyridine-3-sulfonamide N-[(1S)-1-cyclohexylpropyl]-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)	2.46	3.06	-9.82	4	6	0	97	312.439	6	↓ MOL2 SDF SMILES Flexibase

52343988

Analogs

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Popular Name: N-[(1R)-1-cyclohexylpropyl]-2-hydrazino-pyridine-3-sulfonamide N-[(1R)-1-cyclohexylpropyl]-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)	2.46	3.06	-9.19	4	6	0	97	312.439	6	↓ MOL2 SDF SMILES Flexibase

52344727

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclohexylethyl]pyridine-3-sulfonamide 5-bromo-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)	3.51	4.05	-7.16	1	4	0	59	347.278	4	↓ MOL2 SDF SMILES Flexibase

52344728

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-cyclohexylethyl]pyridine-3-sulfonamide 5-bromo-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)	3.51	4.1	-7.26	1	4	0	59	347.278	4	↓ MOL2 SDF SMILES Flexibase

52344731

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclohexylpropyl]pyridine-3-sulfonamide 5-bromo-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)	4.04	5.02	-7.03	1	4	0	59	361.305	5	↓ MOL2 SDF SMILES Flexibase

52344732

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-cyclohexylpropyl]pyridine-3-sulfonamide 5-bromo-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)	4.04	5.08	-7.2	1	4	0	59	361.305	5	↓ MOL2 SDF SMILES Flexibase

52344899

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-(methylamino)pyridine-3-sulfonamide 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)	2.75	3.1	-9.69	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

52344900

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-(methylamino)pyridine-3-sulfonamide 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)	2.75	3.14	-9.7	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

52344901

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-6-(ethylamino)pyridine-3-sulfonamide 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)	3.13	3.88	-8.83	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

52344902

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-6-(ethylamino)pyridine-3-sulfonamide 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)	3.13	3.91	-8.94	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

52344907

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-2-(methylamino)pyridine-3-sulfonamide N-[(1S)-1-cyclohexylethyl]-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)	2.54	3.9	-9.43	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

52344908

Analogs

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Popular Name: N-[(1R)-1-cyclohexylethyl]-2-(methylamino)pyridine-3-sulfonamide N-[(1R)-1-cyclohexylethyl]-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)	2.54	3.84	-9.59	2	5	0	71	297.424	5	↓ MOL2 SDF SMILES Flexibase

52344909

Analogs

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Popular Name: N-[(1S)-1-cyclohexylethyl]-2-(ethylamino)pyridine-3-sulfonamide N-[(1S)-1-cyclohexylethyl]-2-(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)	2.91	4.73	-9.1	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

52344910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-2-(ethylamino)pyridine-3-sulfonamide N-[(1R)-1-cyclohexylethyl]-2-(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)	2.91	4.86	-9.41	2	5	0	71	311.451	6	↓ MOL2 SDF SMILES Flexibase

52344919

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-cyclohexylethyl]-2-(methylamino)pyridine-3-sulfonamide 5-bromo-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)	3.49	4.5	-7.78	2	5	0	71	376.32	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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