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ZINC Item

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62921535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 1-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)	0.08	3.67	-45.19	2	4	1	47	167.236	1	↓ MOL2 SDF SMILES Flexibase

62921537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 1-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)	0.08	3.68	-47.16	2	4	1	47	167.236	1	↓ MOL2 SDF SMILES Flexibase

62921540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-1-methyl-1,2,4-triazole 5-[(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	-49.76	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-1-methyl-1,2,4-triazole 5-[(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	3.86	-48.49	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1-methyl-5-[(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	4.77	-50.09	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1-methyl-5-[(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	4.63	-48.82	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 1-ethyl-5-[(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	4.49	-44.48	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 1-ethyl-5-[(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	4.42	-48.72	2	4	1	47	181.263	2	↓ MOL2 SDF SMILES Flexibase

62921580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-[(3S)-3-ethylpyrrolidin-3-yl]-1,2,4-triazole 1-ethyl-5-[(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	4.63	-49.84	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-[(3R)-3-ethylpyrrolidin-3-yl]-1,2,4-triazole 1-ethyl-5-[(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	4.53	-48.82	2	4	1	47	195.29	3	↓ MOL2 SDF SMILES Flexibase

62921596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1-ethyl-5-[(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	5.39	-50.2	2	4	1	47	209.317	4	↓ MOL2 SDF SMILES Flexibase

62921599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1-ethyl-5-[(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	5.32	-49.24	2	4	1	47	209.317	4	↓ MOL2 SDF SMILES Flexibase

62921629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 1,3-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	3.53	-47.8	2	4	1	47	181.263	1	↓ MOL2 SDF SMILES Flexibase

62921632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 1,3-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	3.55	-45.73	2	4	1	47	181.263	1	↓ MOL2 SDF SMILES Flexibase

62921635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-1,3-dimethyl-1,2,4-triazole 5-[(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	3.87	-50.31	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62921637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-1,3-dimethyl-1,2,4-triazole 5-[(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	3.73	-49	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62921652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1,3-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	4.64	-50.67	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1,3-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	4.5	-49.3	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3-ethyl-1-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)	0.74	4.16	-47.58	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62921828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3-ethyl-1-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)	0.74	4.17	-45.49	2	4	1	47	195.29	2	↓ MOL2 SDF SMILES Flexibase

62921830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3R)-3-ethylpyrrolidin-3-yl]-1-methyl-1,2,4-triazole 3-ethyl-5-[(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)	1.06	4.36	-48.85	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-ethylpyrrolidin-3-yl]-1-methyl-1,2,4-triazole 3-ethyl-5-[(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)	1.06	4.45	-50.21	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-methyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3-ethyl-1-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)	1.62	5.25	-50.44	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62921837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-1-methyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3-ethyl-1-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)	1.62	5.12	-49.06	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62921839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-3-propyl-1,2,4-triazole 1-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)	1.24	4.92	-47.43	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-3-propyl-1,2,4-triazole 1-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)	1.24	4.94	-45.37	2	4	1	47	209.317	3	↓ MOL2 SDF SMILES Flexibase

62921845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-1-methyl-3-propyl-1,2,4-triazole 5-[(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)	1.56	5.12	-48.7	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62921847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-1-methyl-3-propyl-1,2,4-triazole 5-[(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)	1.56	5.22	-50.06	2	4	1	47	223.344	4	↓ MOL2 SDF SMILES Flexibase

62921850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-propyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1-methyl-3-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)	2.12	5.91	-49.09	2	4	1	47	237.371	5	↓ MOL2 SDF SMILES Flexibase

62921852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-3-propyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 1-methyl-3-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)	2.12	5.99	-50.41	2	4	1	47	237.371	5	↓ MOL2 SDF SMILES Flexibase

62921855

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[(3R)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3-isopropyl-1-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)	1.22	4.61	-47.3	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62921858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-1-methyl-5-[(3S)-3-methylpyrrolidin-3-yl]-1,2,4-triazole 3-isopropyl-1-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)	1.22	4.62	-45.21	2	4	1	47	209.317	2	↓ MOL2 SDF SMILES Flexibase

62921860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-isopropyl-1-methyl-1,2,4-triazole 5-[(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)	1.54	4.94	-49.79	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62921862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-isopropyl-1-methyl-1,2,4-triazole 5-[(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)	1.54	4.79	-48.52	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62921864

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[(3S)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3-isopropyl-1-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)	2.10	5.7	-50.1	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62921867

Analogs

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Popular Name: 3-isopropyl-1-methyl-5-[(3R)-3-propylpyrrolidin-3-yl]-1,2,4-triazole 3-isopropyl-1-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)	2.10	5.57	-48.82	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62921885

Analogs

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

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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)	1.89	5.16	-45.19	2	4	1	47	223.344	2	↓ MOL2 SDF SMILES Flexibase

62921888

Analogs

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

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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)	1.89	5.17	-46.89	2	4	1	47	223.344	2	↓ MOL2 SDF SMILES Flexibase

62921891

Analogs

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

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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	5.49	-49.49	2	4	1	47	237.371	3	↓ MOL2 SDF SMILES Flexibase

62921894

Analogs

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

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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	5.34	-48.22	2	4	1	47	237.371	3	↓ MOL2 SDF SMILES Flexibase

62921896

Analogs

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

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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)	2.77	6.26	-49.84	2	4	1	47	251.398	4	↓ MOL2 SDF SMILES Flexibase

62921899

Analogs

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

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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)	2.77	6.12	-48.54	2	4	1	47	251.398	4	↓ MOL2 SDF SMILES Flexibase

62921901

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.48	5.39	-46.95	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62921904

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.48	5.4	-44.85	2	4	1	47	223.344	3	↓ MOL2 SDF SMILES Flexibase

62921905

Analogs

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Popular Name: 5-[(3S)-3-ethylpyrrolidin-3-yl]-3-isobutyl-1-methyl-1,2,4-triazole 5-[(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)	1.81	5.71	-49.41	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62921907

Analogs

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Popular Name: 5-[(3R)-3-ethylpyrrolidin-3-yl]-3-isobutyl-1-methyl-1,2,4-triazole 5-[(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)	1.81	5.57	-48	2	4	1	47	237.371	4	↓ MOL2 SDF SMILES Flexibase

62921909

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.37	6.48	-49.75	2	4	1	47	251.398	5	↓ MOL2 SDF SMILES Flexibase

62921912

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.37	6.34	-48.36	2	4	1	47	251.398	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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