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ZINC Item

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50652918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-6-(methylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	1.18	1.44	-9.78	2	5	0	71	255.343	5	↓ MOL2 SDF SMILES Flexibase

50652920

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-(ethylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	1.55	2.23	-9.33	2	5	0	71	269.37	6	↓ MOL2 SDF SMILES Flexibase

50652922

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	2.06	2.99	-9.01	2	5	0	71	283.397	7	↓ MOL2 SDF SMILES Flexibase

50652941

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(methylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	0.96	2.18	-9.8	2	5	0	71	255.343	5	↓ MOL2 SDF SMILES Flexibase

50652943

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(ethylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	1.34	3	-9.53	2	5	0	71	269.37	6	↓ MOL2 SDF SMILES Flexibase

50652945

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(propylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	1.84	3.77	-9.32	2	5	0	71	283.397	7	↓ MOL2 SDF SMILES Flexibase

50652965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(cyclobutylmethyl)-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-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)	1.92	2.77	-8.22	2	5	0	71	334.239	5	↓ MOL2 SDF SMILES Flexibase

50652967

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-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)	2.29	3.59	-7.82	2	5	0	71	348.266	6	↓ MOL2 SDF SMILES Flexibase

50652968

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-2-(propylamino)pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-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)	2.79	4.36	-7.59	2	5	0	71	362.293	7	↓ MOL2 SDF SMILES Flexibase

50652972

Analogs

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Popular Name: 6-amino-N-(cyclobutylmethyl)pyridine-3-sulfonamide 6-amino-N-(cyclobutylmethyl)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)	0.80	0.53	-9.88	3	5	0	85	241.316	4	↓ MOL2 SDF SMILES Flexibase

50652977

Analogs

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Popular Name: 2-amino-N-(cyclobutylmethyl)pyridine-3-sulfonamide 2-amino-N-(cyclobutylmethyl)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)	0.58	0.92	-9.45	3	5	0	85	241.316	4	↓ MOL2 SDF SMILES Flexibase

50652987

Analogs

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Popular Name: 2-amino-5-bromo-N-(cyclobutylmethyl)pyridine-3-sulfonamide 2-amino-5-bromo-N-(cyclobutylmet…

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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	1.56	-8.09	3	5	0	85	320.212	4	↓ MOL2 SDF SMILES Flexibase

61479393

Analogs

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Popular Name: 6-chloro-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 6-chloro-N-(cyclobutylmethyl)-N-…

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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)	2.24	4.03	-8.81	0	4	0	50	274.773	4	↓ MOL2 SDF SMILES Flexibase

61479436

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 2-chloro-N-(cyclobutylmethyl)-N-…

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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	-9.98	0	4	0	50	274.773	4	↓ MOL2 SDF SMILES Flexibase

61479551

Analogs

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Popular Name: 5-bromo-2-chloro-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 5-bromo-2-chloro-N-(cyclobutylme…

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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)	2.98	4.36	-6.92	0	4	0	50	353.669	4	↓ MOL2 SDF SMILES Flexibase

61485299

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-hydrazino-N-methyl-pyridine-3-sulfonamide N-(cyclobutylmethyl)-6-hydrazino…

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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)	0.81	2.25	-11.04	3	6	0	88	270.358	5	↓ MOL2 SDF SMILES Flexibase

61485320

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-hydrazino-N-methyl-pyridine-3-sulfonamide N-(cyclobutylmethyl)-2-hydrazino…

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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)	0.59	2.58	-10.32	3	6	0	88	270.358	5	↓ MOL2 SDF SMILES Flexibase

61485350

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-2-hydrazino-N-methyl-pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-2-h…

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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	3.18	-8.68	3	6	0	88	349.254	5	↓ MOL2 SDF SMILES Flexibase

61486971

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-N-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)	2.18	4.21	-7.55	0	4	0	50	319.224	4	↓ MOL2 SDF SMILES Flexibase

61486984

Analogs

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Popular Name: N-(cyclobutylmethyl)-5-(3-hydroxyprop-1-ynyl)-N-methyl-pyridine-3-sulfonamide N-(cyclobutylmethyl)-5-(3-hydrox…

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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)	0.77	2.4	-11.82	1	5	0	71	294.376	4	↓ MOL2 SDF SMILES Flexibase

61486985

Analogs

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Popular Name: N-(cyclobutylmethyl)-5-(4-hydroxybut-1-ynyl)-N-methyl-pyridine-3-sulfonamide N-(cyclobutylmethyl)-5-(4-hydrox…

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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)	1.04	3.17	-10.28	1	5	0	71	308.403	5	↓ MOL2 SDF SMILES Flexibase

61486994

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 5-(3-aminoprop-1-ynyl)-N-(cyclob…

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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)	0.21	3.11	-56.46	3	5	1	78	294.4	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.21	2.7	-9.81	2	5	0	76	293.392	4	↓ MOL2 SDF SMILES Flexibase

61487166

Analogs

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Popular Name: (E)-3-[5-[cyclobutylmethyl(methyl)sulfamoyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[cyclobutylmethyl(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)	1.00	5.44	-49.22	0	6	-1	90	309.367	6	↓ MOL2 SDF SMILES Flexibase

61487167

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-N-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)	2.16	4.5	-8.99	1	5	0	62	348.266	5	↓ MOL2 SDF SMILES Flexibase

61487168

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-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)	2.54	5.32	-8.73	1	5	0	62	362.293	6	↓ MOL2 SDF SMILES Flexibase

61487169

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide 5-bromo-N-(cyclobutylmethyl)-N-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)	3.04	6.09	-8.48	1	5	0	62	376.32	7	↓ MOL2 SDF SMILES Flexibase

61487171

Analogs

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Popular Name: 6-amino-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 6-amino-N-(cyclobutylmethyl)-N-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)	1.05	2.35	-10.15	2	5	0	76	255.343	4	↓ MOL2 SDF SMILES Flexibase

61487182

Analogs

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Popular Name: 2-amino-5-bromo-N-(cyclobutylmethyl)-N-methyl-pyridine-3-sulfonamide 2-amino-5-bromo-N-(cyclobutylmet…

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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	3.41	-8.29	2	5	0	76	334.239	4	↓ MOL2 SDF SMILES Flexibase

61487192

Analogs

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Popular Name: N-(cyclobutylmethyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-N-methyl-6-…

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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)	1.42	3.29	-10.34	1	5	0	62	269.37	5	↓ MOL2 SDF SMILES Flexibase

61487193

Analogs

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Popular Name: N-(cyclobutylmethyl)-6-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	1.80	4.09	-9.88	1	5	0	62	283.397	6	↓ MOL2 SDF SMILES Flexibase

61487194

Analogs

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Popular Name: N-(cyclobutylmethyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-N-methyl-6-…

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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)	2.30	4.86	-9.58	1	5	0	62	297.424	7	↓ MOL2 SDF SMILES Flexibase

61487200

Analogs

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Popular Name: N-(cyclobutylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-N-methyl-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)	1.20	3.91	-11.88	1	5	0	62	269.37	5	↓ MOL2 SDF SMILES Flexibase

61487201

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-(cyclobutylmethyl)-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)	1.58	4.72	-11.78	1	5	0	62	283.397	6	↓ MOL2 SDF SMILES Flexibase

61487202

Analogs

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Popular Name: N-(cyclobutylmethyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide N-(cyclobutylmethyl)-N-methyl-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)	2.08	5.48	-11.56	1	5	0	62	297.424	7	↓ MOL2 SDF SMILES Flexibase

37181070

Analogs

42869749
42869752
42869754
42869757

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Popular Name: N-(cyclobutylmethyl)-6-hydrazino-pyridine-3-sulfonamide N-(cyclobutylmethyl)-6-hydrazino…

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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)	0.56	0.43	-11.07	4	6	0	97	256.331	5	↓ MOL2 SDF SMILES Flexibase

49239606

Analogs

44243839

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Popular Name: N-(cyclobutylmethyl)pyridine-3-sulfonamide N-(cyclobutylmethyl)pyridine-3-s…

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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)	0.98	1.79	-9.34	1	4	0	59	226.301	4	↓ MOL2 SDF SMILES Flexibase

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