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ZINC Item

Suppliers, Protomers, & Similar Substances

52937511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2-(2-amino-2-oxo-ethyl)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)	0.58	4.88	-24.83	3	7	0	102	341.396	6	↓ MOL2 SDF SMILES Flexibase

53315844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethoxy-4-methyl-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide 3,5-dimethoxy-4-methyl-N-[[6-(tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	7.34	-12.72	1	7	0	78	394.353	6	↓ MOL2 SDF SMILES Flexibase

53392584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide 4-(dimethylamino)-N-[[6-(trifluo…

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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	8.35	-12.63	1	6	0	63	363.343	5	↓ MOL2 SDF SMILES Flexibase

22662667

Analogs

26503938

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-difluoro-N-([1,2,4]triazolo[4,5-a]pyridin-3-ylmethyl)benzamide 3,4-difluoro-N-([1,2,4]triazolo[…

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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	7.04	-17.26	1	5	0	59	288.257	3	↓ MOL2 SDF SMILES Flexibase

37104720

Analogs

37978419
37978420
7898771
36629101
7898706

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2,6-difluoro-N-([1,2,4]triazolo[…

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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)	1.69	6.91	-18.18	1	5	0	59	288.257	3	↓ MOL2 SDF SMILES Flexibase

58308097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 3,4-dimethoxy-N-methyl-N-([1,2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	7.93	-16.97	0	7	0	69	326.356	5	↓ MOL2 SDF SMILES Flexibase

58343210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(methanesulfonamido)-N,4-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 3-(methanesulfonamido)-N,4-dimet…

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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)	0.84	6.17	-78.41	0	8	-1	99	372.43	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.84	6.1	-37.33	1	8	0	97	373.438	5	↓ MOL2 SDF SMILES Flexibase

58343236

Analogs

26503938

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2,4-difluoro-N-methyl-N-([1,2,4]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.49	8.84	-15.49	0	5	0	51	302.284	3	↓ MOL2 SDF SMILES Flexibase

58343242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,4-trimethoxy-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2,3,4-trimethoxy-N-methyl-N-([1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	8.67	-18.07	0	8	0	78	356.382	6	↓ MOL2 SDF SMILES Flexibase

14227253

Analogs

23644745
32207429

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,4-trimethoxy-N-([1,2,4]triazolo[4,5-a]pyridin-3-ylmethyl)benzamide 2,3,4-trimethoxy-N-([1,2,4]triaz…

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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	7.24	-19.23	1	8	0	87	342.355	6	↓ MOL2 SDF SMILES Flexibase

14250144

Analogs

14250146

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-3-methoxy-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl] 4-(difluoromethoxy)-3-methoxy-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)	2.65	8.98	-16.42	1	7	0	78	422.457	9	↓ MOL2 SDF SMILES Flexibase

14250146

Analogs

14250144

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-3-methoxy-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,5-a]pyridin-3-yl)propyl] 4-(difluoromethoxy)-3-methoxy-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)	2.65	8.98	-16.45	1	7	0	78	422.457	9	↓ MOL2 SDF SMILES Flexibase

63010881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 4-amino-3-fluoro-N-([1,2,4]triaz…

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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	4.93	-16.94	3	6	0	85	285.282	3	↓ MOL2 SDF SMILES Flexibase

69457084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide 3-methoxy-N-[(1S)-1-([1,2,4]tria…

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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)	3.12	8.3	-14.42	1	6	0	69	324.384	6	↓ MOL2 SDF SMILES Flexibase

69457085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide 3-methoxy-N-[(1R)-1-([1,2,4]tria…

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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)	3.12	8.3	-14.44	1	6	0	69	324.384	6	↓ MOL2 SDF SMILES Flexibase

69485062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide N,2-dimethyl-N-([1,2,4]triazolo[…

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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)	1.64	9.26	-23.96	0	5	0	51	280.331	3	↓ MOL2 SDF SMILES Flexibase

69485487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 4-ethyl-N-methyl-N-([1,2,4]triaz…

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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)	2.15	10.08	-24.97	0	5	0	51	294.358	4	↓ MOL2 SDF SMILES Flexibase

69490922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dichloro-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 3,4-dichloro-N-methyl-N-([1,2,4]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	9.68	-13.98	0	5	0	51	335.194	3	↓ MOL2 SDF SMILES Flexibase

69490993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2-fluoro-N-methyl-N-([1,2,4]tria…

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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)	1.35	8.77	-16.62	0	5	0	51	284.294	3	↓ MOL2 SDF SMILES Flexibase

69493720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-3-methoxy-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 4-ethoxy-3-methoxy-N-methyl-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)	1.26	8.77	-28.22	0	7	0	69	340.383	6	↓ MOL2 SDF SMILES Flexibase

69513484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2,4-dimethoxy-N-methyl-N-([1,2,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	8.11	-16.97	0	7	0	69	326.356	5	↓ MOL2 SDF SMILES Flexibase

69513840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2,4-dichloro-N-methyl-N-([1,2,4]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	9.73	-13.53	0	5	0	51	335.194	3	↓ MOL2 SDF SMILES Flexibase

69518698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide 2-methyl-N-[(1S)-1-([1,2,4]triaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	9.66	-12.15	1	5	0	59	308.385	5	↓ MOL2 SDF SMILES Flexibase

69518699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide 2-methyl-N-[(1R)-1-([1,2,4]triaz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	9.66	-12.2	1	5	0	59	308.385	5	↓ MOL2 SDF SMILES Flexibase

69559063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide 2-fluoro-N-[(1R)-2-methyl-1-([1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	9.32	-14.73	1	5	0	59	312.348	4	↓ MOL2 SDF SMILES Flexibase

69561391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,2,4-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide N,2,4-trimethyl-N-([1,2,4]triazo…

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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	9.92	-23.68	0	5	0	51	294.358	3	↓ MOL2 SDF SMILES Flexibase

69708511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2-chloro-6-fluoro-N-([1,2,4]tria…

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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	7.29	-17.3	1	5	0	59	304.712	3	↓ MOL2 SDF SMILES Flexibase

65563610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dimethylamino)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide 3-(dimethylamino)-N-[(1S)-1-([1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	9.38	-13.39	1	6	0	63	337.427	6	↓ MOL2 SDF SMILES Flexibase

65563612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dimethylamino)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]benzamide 3-(dimethylamino)-N-[(1R)-1-([1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	9.38	-13.41	1	6	0	63	337.427	6	↓ MOL2 SDF SMILES Flexibase

65605656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 4-bromo-N-methyl-N-([1,2,4]triaz…

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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)	2.04	9.33	-12.92	0	5	0	51	345.2	3	↓ MOL2 SDF SMILES Flexibase

56154958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(propylsulfonylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2-(propylsulfonylamino)-N-([1,2,…

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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)	1.53	5.71	-55.27	1	8	-1	108	372.43	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.53	5.71	-20.04	2	8	0	105	373.438	7	↓ MOL2 SDF SMILES Flexibase

66042113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 4-bromo-2-hydroxy-N-([1,2,4]tria…

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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)	2.74	6.12	-16.15	2	6	0	80	347.172	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	7.13	-54.6	1	6	-1	82	346.164	3	↓ MOL2 SDF SMILES Flexibase

41637971

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Popular Name: 2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide 2-(methylamino)-N-([1,2,4]triazo…

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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)	1.27	6.11	-14.38	2	6	0	71	281.319	4	↓ MOL2 SDF SMILES Flexibase

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