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ZINC Item

Suppliers, Protomers, & Similar Substances

52813782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridin-3-amine 5-methyl-6-[[5-(trifluoromethyl)…

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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	5.56	-7.82	2	3	0	52	285.294	3	↓ MOL2 SDF SMILES Flexibase

52813785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-6-(2-pyridylsulfanyl)pyridin-3-amine 5-methyl-6-(2-pyridylsulfanyl)py…

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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	4.61	-9.2	2	3	0	52	217.297	2	↓ MOL2 SDF SMILES Flexibase

19432585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-cyano-2-pyridyl)sulfanyl]pyridine-3-carboxylic 2-[(3-cyano-2-pyridyl)sulfanyl]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)	1.67	6.21	-58.96	0	5	-1	90	256.266	3	↓ MOL2 SDF SMILES Flexibase

19435728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-carbamoyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic 2-[(3-carbamoyl-2-pyridyl)sulfan…

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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	2.67	-70.1	2	6	-1	109	274.281	4	↓ MOL2 SDF SMILES Flexibase

37066207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-nitro-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine 6-chloro-3-nitro-2-[[5-(trifluor…

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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)	4.26	8.08	-7.57	0	5	0	72	335.694	4	↓ MOL2 SDF SMILES Flexibase

37066214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-nitro-2-(2-pyridylsulfanyl)pyridine 6-chloro-3-nitro-2-(2-pyridylsul…

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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	7.13	-8.57	0	5	0	72	267.697	3	↓ MOL2 SDF SMILES Flexibase

37077849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridin-3-amine 2-ethoxy-6-[[5-(trifluoromethyl)…

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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)	3.54	4.84	-7.44	2	4	0	61	315.32	5	↓ MOL2 SDF SMILES Flexibase

37077850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridin-3-amine 2-methoxy-6-[[5-(trifluoromethyl…

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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)	3.17	3.93	-7.5	2	4	0	61	301.293	4	↓ MOL2 SDF SMILES Flexibase

37077860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butoxy-6-(2-pyridylsulfanyl)pyridin-3-amine 2-tert-butoxy-6-(2-pyridylsulfan…

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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)	3.45	5.57	-7.43	2	4	0	61	275.377	4	↓ MOL2 SDF SMILES Flexibase

37077861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isobutoxy-6-(2-pyridylsulfanyl)pyridin-3-amine 2-isobutoxy-6-(2-pyridylsulfanyl…

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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)	3.39	5.38	-8.23	2	4	0	61	275.377	5	↓ MOL2 SDF SMILES Flexibase

37077863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propoxy-6-(2-pyridylsulfanyl)pyridin-3-amine 2-propoxy-6-(2-pyridylsulfanyl)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)	3.15	4.69	-8.51	2	4	0	61	261.35	5	↓ MOL2 SDF SMILES Flexibase

37077864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropoxy-6-(2-pyridylsulfanyl)pyridin-3-amine 2-isopropoxy-6-(2-pyridylsulfany…

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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)	3.01	4.67	-8.15	2	4	0	61	261.35	4	↓ MOL2 SDF SMILES Flexibase

37077865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-(2-pyridylsulfanyl)pyridin-3-amine 2-ethoxy-6-(2-pyridylsulfanyl)py…

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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)	2.64	3.9	-8.63	2	4	0	61	247.323	4	↓ MOL2 SDF SMILES Flexibase

37077866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-(2-pyridylsulfanyl)pyridin-3-amine 2-methoxy-6-(2-pyridylsulfanyl)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)	2.27	2.98	-8.58	2	4	0	61	233.296	3	↓ MOL2 SDF SMILES Flexibase

54700411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluoro-2-pyridyl)sulfanyl]pyridine-3-carboxylic 2-[(3-fluoro-2-pyridyl)sulfanyl]…

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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)	2.07	6.65	-54.16	0	4	-1	66	249.246	3	↓ MOL2 SDF SMILES Flexibase

54700416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluoro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-fluoro-2-pyridyl)sulfanyl]…

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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)	2.41	6.77	-49.67	0	4	-1	66	249.246	3	↓ MOL2 SDF SMILES Flexibase

54700417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-fluoro-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(3-fluoro-2-pyridyl)sulfanyl]…

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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)	2.13	6.76	-48.56	0	4	-1	66	249.246	3	↓ MOL2 SDF SMILES Flexibase

54700418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluoro-2-pyridyl)sulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[(3-fluoro-2-pyridyl)sulfanyl]…

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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)	2.89	8.02	-61.79	0	4	-1	66	277.3	3	↓ MOL2 SDF SMILES Flexibase

54701161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluoro-2-pyridyl)sulfanyl]pyridin-3-amine 2-[(3-fluoro-2-pyridyl)sulfanyl]…

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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)	1.98	4.16	-9.46	2	3	0	52	221.26	2	↓ MOL2 SDF SMILES Flexibase

1385650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(trifluoromethyl)-2-pyridinyl 3-nitro-2-pyridinyl sulfide 3-chloro-5-(trifluoromethyl)-2-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)	3.85	2.9	-9.41	0	5	0	71	335.694	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.85	2.81	-35.85	1	5	1	72	336.702	4	↓ MOL2 SDF SMILES Flexibase

69463102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methylsulfonyl-N-[2-(2-pyridylsulfanyl)-4-pyridyl]propanamide (2S)-2-methylsulfonyl-N-[2-(2-py…

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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)	1.33	3.67	-27.31	1	6	0	89	337.426	5	↓ MOL2 SDF SMILES Flexibase

69463106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methylsulfonyl-N-[2-(2-pyridylsulfanyl)-4-pyridyl]propanamide (2R)-2-methylsulfonyl-N-[2-(2-py…

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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)	1.33	3.89	-26.98	1	6	0	89	337.426	5	↓ MOL2 SDF SMILES Flexibase

69466480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-6-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine 2-bromo-6-[[5-(trifluoromethyl)-…

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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)	4.48	7.61	-7.56	0	2	0	26	335.148	3	↓ MOL2 SDF SMILES Flexibase

41070830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chloro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-chloro-2-pyridyl)sulfanyl]…

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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)	2.93	7.17	-48.86	0	4	-1	66	265.701	3	↓ MOL2 SDF SMILES Flexibase

41070847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-dichloro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3,5-dichloro-2-pyridyl)sulfa…

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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)	3.75	7.66	-45.07	0	4	-1	66	300.146	3	↓ MOL2 SDF SMILES Flexibase

41070848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-nitro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(5-nitro-2-pyridyl)sulfanyl]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)	2.42	7.42	-46.23	0	7	-1	112	276.253	4	↓ MOL2 SDF SMILES Flexibase

41070849

Analogs

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Popular Name: 2-[(3-cyano-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-cyano-2-pyridyl)sulfanyl]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)	2.00	6.99	-51.82	0	5	-1	90	256.266	3	↓ MOL2 SDF SMILES Flexibase

41070850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-carbamoyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-carbamoyl-2-pyridyl)sulfan…

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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)	1.07	3.52	-59.29	2	6	-1	109	274.281	4	↓ MOL2 SDF SMILES Flexibase

41070851

Analogs

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Popular Name: 2-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine-4-carboxylic 2-[[3-(trifluoromethyl)-2-pyridy…

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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)	3.14	7.58	-49.57	0	4	-1	66	299.253	4	↓ MOL2 SDF SMILES Flexibase

41070852

Analogs

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Popular Name: 2-[(3-ethoxycarbonyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-ethoxycarbonyl-2-pyridyl)s…

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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	8.17	-54.2	0	6	-1	92	303.319	6	↓ MOL2 SDF SMILES Flexibase

41070853

Analogs

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Popular Name: 2-[(4-cyano-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(4-cyano-2-pyridyl)sulfanyl]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)	2.00	7.11	-48.1	0	5	-1	90	256.266	3	↓ MOL2 SDF SMILES Flexibase

41070854

Analogs

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Popular Name: 2-[(5-methyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(5-methyl-2-pyridyl)sulfanyl]…

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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	7.36	-48.76	0	4	-1	66	245.283	3	↓ MOL2 SDF SMILES Flexibase

41070855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-ethoxycarbonyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(5-ethoxycarbonyl-2-pyridyl)s…

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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	8.29	-47.27	0	6	-1	92	303.319	6	↓ MOL2 SDF SMILES Flexibase

41070856

Analogs

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Popular Name: 2-[(5-cyano-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(5-cyano-2-pyridyl)sulfanyl]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)	2.06	7.12	-47.96	0	5	-1	90	256.266	3	↓ MOL2 SDF SMILES Flexibase

41070857

Analogs

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Popular Name: 2-[(5-chloro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(5-chloro-2-pyridyl)sulfanyl]…

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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)	3.14	7.21	-46.27	0	4	-1	66	265.701	3	↓ MOL2 SDF SMILES Flexibase

41070859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-nitro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-nitro-2-pyridyl)sulfanyl]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)	2.21	7.28	-52.75	0	7	-1	112	276.253	4	↓ MOL2 SDF SMILES Flexibase

41070877

Analogs

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Popular Name: 2-[(3-carbamoyl-4,6-dimethyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-carbamoyl-4,6-dimethyl-2-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)	1.88	4.4	-54.13	2	6	-1	109	302.335	4	↓ MOL2 SDF SMILES Flexibase

41070882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(3-cyano-4,6-dimethyl-2-pyrid…

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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)	2.82	8.1	-51.19	0	5	-1	90	284.32	3	↓ MOL2 SDF SMILES Flexibase

41070897

Analogs

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Popular Name: 2-[(6-methyl-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(6-methyl-2-pyridyl)sulfanyl]…

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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)	2.35	7.31	-49.15	0	4	-1	66	245.283	3	↓ MOL2 SDF SMILES Flexibase

41070902

Analogs

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Popular Name: 2-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]pyridine-4-carboxylic 2-[(5-bromo-3-nitro-2-pyridyl)su…

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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	7.88	-46.74	0	7	-1	112	355.149	4	↓ MOL2 SDF SMILES Flexibase

48935219

Analogs

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Popular Name: 2-[(3-cyano-5-nitro-2-pyridyl)sulfanyl]pyridine-3-carboxylic 2-[(3-cyano-5-nitro-2-pyridyl)su…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	7.58	-46.68	0	8	-1	136	301.263	4	↓ MOL2 SDF SMILES Flexibase

41669419

Analogs

22147978

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Popular Name: 6-[(3-chloro-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(3-chloro-2-pyridyl)sulfanyl]…

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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)	2.64	7.15	-48.29	0	4	-1	66	265.701	3	↓ MOL2 SDF SMILES Flexibase

41669544

Analogs

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Popular Name: 6-[(3,5-dichloro-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(3,5-dichloro-2-pyridyl)sulfa…

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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)	3.46	7.65	-45.35	0	4	-1	66	300.146	3	↓ MOL2 SDF SMILES Flexibase

41669550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-nitro-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(5-nitro-2-pyridyl)sulfanyl]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)	2.14	7.39	-49.71	0	7	-1	112	276.253	4	↓ MOL2 SDF SMILES Flexibase

41669562

Analogs

19480300

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-carbamoyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(3-carbamoyl-2-pyridyl)sulfan…

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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)	0.78	3.5	-56.85	2	6	-1	109	274.281	4	↓ MOL2 SDF SMILES Flexibase

41669568

Analogs

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Popular Name: 6-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine-3-carboxylic 6-[[3-(trifluoromethyl)-2-pyridy…

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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)	2.86	7.56	-47.9	0	4	-1	66	299.253	4	↓ MOL2 SDF SMILES Flexibase

41669574

Analogs

8717100
22859372
32647102
8262759

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Popular Name: 6-[(3-ethoxycarbonyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(3-ethoxycarbonyl-2-pyridyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	8.15	-51.65	0	6	-1	92	303.319	6	↓ MOL2 SDF SMILES Flexibase

41669580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-cyano-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(4-cyano-2-pyridyl)sulfanyl]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)	1.72	7.09	-47.88	0	5	-1	90	256.266	3	↓ MOL2 SDF SMILES Flexibase

41669586

Analogs

335029

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-methyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(5-methyl-2-pyridyl)sulfanyl]…

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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	7.34	-50.03	0	4	-1	66	245.283	3	↓ MOL2 SDF SMILES Flexibase

41669593

Analogs

25067036
25066989

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-ethoxycarbonyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic 6-[(5-ethoxycarbonyl-2-pyridyl)s…

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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)	2.22	8.27	-49.01	0	6	-1	92	303.319	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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