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ZINC Item

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62920840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3,4-dimethyl-5-[(3R)-3-methylpyr…

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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)	0.16	4.29	-44.6	2	4	1	47	181.263	1	↓ MOL2 SDF SMILES Flexibase

62920842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3,4-dimethyl-5-[(3S)-3-methylpyr…

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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)	0.16	4.17	-50.76	2	4	1	47	181.263	1	↓ MOL2 SDF SMILES Flexibase

62920857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-4,5-dimethyl-1,2,4-triazole 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	0.49	4.49	-52.38	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62920859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-4,5-dimethyl-1,2,4-triazole 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	0.49	4.43	-50.39	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62920873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3,4-dimethyl-5-[(3S)-3-propylpyr…

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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	5.26	-52.63	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62920875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3,4-dimethyl-5-[(3R)-3-propylpyr…

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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	5.18	-50.69	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62920892

Analogs

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Popular Name: 4-ethyl-3-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-methyl-5-[(3R)-3-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)	0.54	5	-44.53	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62920893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-methyl-5-[(3S)-3-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)	0.54	4.93	-45.82	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62920909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3S)-3-ethylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole 4-ethyl-3-[(3S)-3-ethylpyrrolidi…

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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)	0.86	5.14	-51.38	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62920911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3R)-3-ethylpyrrolidin-3-yl]-5-methyl-1,2,4-triazole 4-ethyl-3-[(3R)-3-ethylpyrrolidi…

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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)	0.86	5.05	-50.46	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62920930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-methyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-methyl-5-[(3S)-3-propy…

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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	5.9	-51.64	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62920932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-methyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-methyl-5-[(3R)-3-propy…

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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	5.81	-50.67	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62920953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-4-propyl-1,2,4-triazole 3-methyl-5-[(3R)-3-methylpyrroli…

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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	5.75	-44.33	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62920955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-4-propyl-1,2,4-triazole 3-methyl-5-[(3S)-3-methylpyrroli…

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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	5.68	-45.61	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62920967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-5-methyl-4-propyl-1,2,4-triazole 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	1.37	5.88	-50.45	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62920969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-5-methyl-4-propyl-1,2,4-triazole 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	1.37	5.83	-51.29	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62920978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-propyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3-methyl-4-propyl-5-[(3S)-3-prop…

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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)	1.93	6.66	-51.47	2	4	1	47	237.371	5	↓ MOL2 SDF SMILES Flexibase

62920980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-propyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3-methyl-4-propyl-5-[(3R)-3-prop…

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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)	1.93	6.55	-50.51	2	4	1	47	237.371	5	↓ MOL2 SDF SMILES Flexibase

62920987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-methyl-5-[(3R)-3-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)	0.90	5.34	-43.72	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62920990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-methyl-5-[(3S)-3-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)	0.90	5.28	-45.07	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62921007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-4-isopropyl-5-methyl-1,2,4-triazole 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	1.23	5.59	-51.29	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62921009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-4-isopropyl-5-methyl-1,2,4-triazole 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	1.23	5.43	-49.79	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62921025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-methyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-methyl-5-[(3S)-3-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)	1.79	6.36	-51.61	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62921027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-methyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-methyl-5-[(3R)-3-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)	1.79	6.23	-50.03	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62921292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-methyl-3-[(3S)-3-methylpyrroli…

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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)	0.08	4.39	-45.58	2	4	1	47	167.236	1	↓ MOL2 SDF SMILES Flexibase

62921295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-methyl-3-[(3R)-3-methylpyrroli…

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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)	0.08	4.39	-48.77	2	4	1	47	167.236	1	↓ MOL2 SDF SMILES Flexibase

62921365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-4-methyl-1,2,4-triazole 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	0.40	4.67	-51.84	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-4-methyl-1,2,4-triazole 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	0.40	4.56	-50.06	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-methyl-3-[(3S)-3-propylpyrroli…

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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	5.44	-52.12	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-methyl-3-[(3R)-3-propylpyrroli…

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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	5.33	-50.34	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921384

Analogs

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Popular Name: 4-ethyl-3-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-[(3R)-3-methylpyrrolid…

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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)	0.45	5.18	-44.18	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-[(3S)-3-methylpyrrolid…

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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)	0.45	4.77	-45.09	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3S)-3-ethylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-[(3S)-3-ethylpyrrolidi…

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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	5.31	-50.72	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3R)-3-ethylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-[(3R)-3-ethylpyrrolidi…

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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	5.27	-50.23	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921398

Analogs

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Popular Name: 4-ethyl-3-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-[(3S)-3-propylpyrrolid…

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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	6.08	-51.01	2	4	1	47	209.317	4	↓ MOL2 SDF SMILES Flexibase

62921401

Analogs

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Popular Name: 4-ethyl-3-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-ethyl-3-[(3R)-3-propylpyrrolid…

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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	6.08	-50.56	2	4	1	47	209.317	4	↓ MOL2 SDF SMILES Flexibase

62921414

Analogs

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Popular Name: 3-[(3R)-3-methylpyrrolidin-3-yl]-4-propyl-1,2,4-triazole 3-[(3R)-3-methylpyrrolidin-3-yl]…

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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	5.94	-44.06	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921417

Analogs

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Popular Name: 3-[(3S)-3-methylpyrrolidin-3-yl]-4-propyl-1,2,4-triazole 3-[(3S)-3-methylpyrrolidin-3-yl]…

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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	5.5	-44.89	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921430

Analogs

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Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-4-propyl-1,2,4-triazole 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	1.28	6.62	-53.01	2	4	1	47	209.317	4	↓ MOL2 SDF SMILES Flexibase

62921432

Analogs

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Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-4-propyl-1,2,4-triazole 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	1.28	6.03	-50.67	2	4	1	47	209.317	4	↓ MOL2 SDF SMILES Flexibase

62921446

Analogs

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Popular Name: 4-propyl-3-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-propyl-3-[(3S)-3-propylpyrroli…

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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	6.87	-50.92	2	4	1	47	223.344	5	↓ MOL2 SDF SMILES Flexibase

62921448

Analogs

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Popular Name: 4-propyl-3-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-propyl-3-[(3R)-3-propylpyrroli…

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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	6.82	-50.35	2	4	1	47	223.344	5	↓ MOL2 SDF SMILES Flexibase

62921459

Analogs

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Popular Name: 4-isopropyl-3-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-[(3R)-3-methylpyrr…

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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)	0.82	5.76	-43.3	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62921461

Analogs

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Popular Name: 4-isopropyl-3-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-[(3S)-3-methylpyrr…

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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)	0.82	5.67	-44.65	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62921464

Analogs

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Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-4-isopropyl-1,2,4-triazole 3-[(3S)-3-ethylpyrrolidin-3-yl]-…

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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)	1.14	5.93	-50.65	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-ethylpyrrolidin-3-yl]-4-isopropyl-1,2,4-triazole 3-[(3R)-3-ethylpyrrolidin-3-yl]-…

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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)	1.14	5.79	-49.31	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-[(3S)-3-propylpyrr…

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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)	1.70	6.73	-51.1	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62921482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-3-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 4-isopropyl-3-[(3R)-3-propylpyrr…

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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)	1.70	6.55	-49.61	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62921673

Analogs

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Popular Name: 4-(2-methoxyethyl)-3-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-(2-methoxyethyl)-3-[(3S)-3-met…

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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)	0.06	4.1	-49.27	2	5	1	57	211.289	4	↓ MOL2 SDF SMILES Flexibase

62921676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methoxyethyl)-3-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 4-(2-methoxyethyl)-3-[(3R)-3-met…

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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)	0.06	4.24	-44.35	2	5	1	57	211.289	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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