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ZINC Item

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52573614

Analogs

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Popular Name: 1-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]-N-methyl-methanamine 1-[3-[(4-bromo-3,5-dimethyl-pyra…

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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)	1.91	5.84	-39.88	2	4	1	48	299.192	4	↓ MOL2 SDF SMILES Flexibase

52573615

Analogs

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Popular Name: N-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[3-[(4-bromo-3,5-dimethyl-pyr…

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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)	2.28	6.95	-33.19	2	4	1	48	313.219	5	↓ MOL2 SDF SMILES Flexibase

52573616

Analogs

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Popular Name: N-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[3-[(4-bromo-3,5-dimethyl-pyr…

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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)	2.78	7.7	-33.53	2	4	1	48	327.246	6	↓ MOL2 SDF SMILES Flexibase

52573617

Analogs

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Popular Name: N-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[3-[(4-bromo-3,5-dimethyl-pyr…

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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)	2.58	7.22	-36.99	2	4	1	48	327.246	5	↓ MOL2 SDF SMILES Flexibase

52573619

Analogs

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Popular Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methanamine [3-[(4-bromo-3,5-dimethyl-pyrazo…

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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	3.97	-45.31	3	4	1	59	285.165	3	↓ MOL2 SDF SMILES Flexibase

52573646

Analogs

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Popular Name: [4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methanamine [4-[(4-bromo-3,5-dimethyl-pyrazo…

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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)	1.75	4.81	-49.29	3	4	1	59	299.192	3	↓ MOL2 SDF SMILES Flexibase

52573721

Analogs

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Popular Name: 1-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[(4-bromo-3,5-dimethyl-pyra…

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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	6.69	-43.77	2	4	1	48	313.219	4	↓ MOL2 SDF SMILES Flexibase

52573722

Analogs

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Popular Name: N-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[(4-bromo-3,5-dimethyl-pyr…

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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)	2.50	7.45	-43.85	2	4	1	48	327.246	5	↓ MOL2 SDF SMILES Flexibase

52573723

Analogs

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Popular Name: N-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[(4-bromo-3,5-dimethyl-pyr…

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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	8.2	-44.76	2	4	1	48	341.273	6	↓ MOL2 SDF SMILES Flexibase

52573724

Analogs

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Popular Name: N-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[(4-bromo-3,5-dimethyl-pyr…

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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)	2.80	8.07	-41.63	2	4	1	48	341.273	5	↓ MOL2 SDF SMILES Flexibase

52573726

Analogs

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Popular Name: N-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[(4-bromo-3,5-dimethyl-pyr…

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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)	3.31	8.48	-39.45	2	4	1	48	355.3	5	↓ MOL2 SDF SMILES Flexibase

52573727

Analogs

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Popular Name: N-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[(4-bromo-3,5-dimethyl-pyr…

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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)	3.25	8.99	-44	2	4	1	48	355.3	6	↓ MOL2 SDF SMILES Flexibase

52573734

Analogs

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Popular Name: N-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[(4-bromo-3,5-dimethyl-pyr…

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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)	3.03	8.15	-38.95	2	4	1	48	341.273	6	↓ MOL2 SDF SMILES Flexibase

52573749

Analogs

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Popular Name: N-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[(4-bromo-3,5-dimethyl-pyr…

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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)	3.09	7.65	-35.32	2	4	1	48	341.273	5	↓ MOL2 SDF SMILES Flexibase

52573878

Analogs

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Popular Name: 1-[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]-N-methyl-methanamine 1-[3-[(4-chloro-3,5-dimethyl-pyr…

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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	5.75	-40	2	4	1	48	254.741	4	↓ MOL2 SDF SMILES Flexibase

52573879

Analogs

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Popular Name: N-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[3-[(4-chloro-3,5-dimethyl-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)	2.15	6.86	-33.33	2	4	1	48	268.768	5	↓ MOL2 SDF SMILES Flexibase

52573880

Analogs

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Popular Name: N-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[3-[(4-chloro-3,5-dimethyl-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)	2.65	7.61	-33.64	2	4	1	48	282.795	6	↓ MOL2 SDF SMILES Flexibase

52573881

Analogs

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Popular Name: N-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[3-[(4-chloro-3,5-dimethyl-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)	2.45	7.14	-37.05	2	4	1	48	282.795	5	↓ MOL2 SDF SMILES Flexibase

52573883

Analogs

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Popular Name: [3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methanamine [3-[(4-chloro-3,5-dimethyl-pyraz…

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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)	1.40	3.88	-45.42	3	4	1	59	240.714	3	↓ MOL2 SDF SMILES Flexibase

52573908

Analogs

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Popular Name: [4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methanamine [4-[(4-chloro-3,5-dimethyl-pyraz…

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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	4.73	-49.3	3	4	1	59	254.741	3	↓ MOL2 SDF SMILES Flexibase

52573983

Analogs

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Popular Name: 1-[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[(4-chloro-3,5-dimethyl-pyr…

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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	6.6	-43.83	2	4	1	48	268.768	4	↓ MOL2 SDF SMILES Flexibase

52573984

Analogs

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Popular Name: N-[[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[(4-chloro-3,5-dimethyl-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)	2.37	7.38	-43.88	2	4	1	48	282.795	5	↓ MOL2 SDF SMILES Flexibase

52573985

Analogs

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Popular Name: N-[[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-[(4-chloro-3,5-dimethyl-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)	2.88	8.13	-44.79	2	4	1	48	296.822	6	↓ MOL2 SDF SMILES Flexibase

52573986

Analogs

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Popular Name: N-[[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-[(4-chloro-3,5-dimethyl-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)	2.67	7.98	-41.67	2	4	1	48	296.822	5	↓ MOL2 SDF SMILES Flexibase

52573988

Analogs

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Popular Name: N-[[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-2-amine N-[[4-[(4-chloro-3,5-dimethyl-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)	3.18	8.4	-39.48	2	4	1	48	310.849	5	↓ MOL2 SDF SMILES Flexibase

52573989

Analogs

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Popular Name: N-[[4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]-2-methyl-propan-1-amine N-[[4-[(4-chloro-3,5-dimethyl-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)	3.12	8.9	-44.02	2	4	1	48	310.849	6	↓ MOL2 SDF SMILES Flexibase

52573996

Analogs

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Popular Name: N-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-[(4-chloro-3,5-dimethyl-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)	2.90	8.06	-39.12	2	4	1	48	296.822	6	↓ MOL2 SDF SMILES Flexibase

52574011

Analogs

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Popular Name: N-[[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-[(4-chloro-3,5-dimethyl-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)	2.96	7.56	-35.41	2	4	1	48	296.822	5	↓ MOL2 SDF SMILES Flexibase

52574824

Analogs

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Popular Name: N-methyl-1-[3-(pyrazol-1-ylmethyl)-2-furyl]methanamine N-methyl-1-[3-(pyrazol-1-ylmethy…

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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	4.22	-38.84	2	4	1	48	192.242	4	↓ MOL2 SDF SMILES Flexibase

52574825

Analogs

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Popular Name: N-[[3-(pyrazol-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[3-(pyrazol-1-ylmethyl)-2-fur…

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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)	1.10	5.08	-37.42	2	4	1	48	206.269	5	↓ MOL2 SDF SMILES Flexibase

52574826

Analogs

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Popular Name: N-[[3-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[3-(pyrazol-1-ylmethyl)-2-fur…

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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)	1.60	5.82	-38.13	2	4	1	48	220.296	6	↓ MOL2 SDF SMILES Flexibase

52574827

Analogs

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Popular Name: N-[[3-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[3-(pyrazol-1-ylmethyl)-2-fur…

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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)	1.40	5.62	-35.82	2	4	1	48	220.296	5	↓ MOL2 SDF SMILES Flexibase

52574829

Analogs

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Popular Name: [3-(pyrazol-1-ylmethyl)-2-furyl]methanamine [3-(pyrazol-1-ylmethyl)-2-furyl]…

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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)	0.35	2.34	-44.3	3	4	1	59	178.215	3	↓ MOL2 SDF SMILES Flexibase

52574855

Analogs

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Popular Name: [5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methanamine [5-methyl-4-(pyrazol-1-ylmethyl)…

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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)	0.57	3.22	-46.35	3	4	1	59	192.242	3	↓ MOL2 SDF SMILES Flexibase

52574930

Analogs

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Popular Name: N-methyl-1-[5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methanamine N-methyl-1-[5-methyl-4-(pyrazol-…

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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)	0.95	5.09	-40.98	2	4	1	48	206.269	4	↓ MOL2 SDF SMILES Flexibase

52574931

Analogs

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Popular Name: N-[[5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[5-methyl-4-(pyrazol-1-ylmeth…

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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)	1.32	5.92	-40.2	2	4	1	48	220.296	5	↓ MOL2 SDF SMILES Flexibase

52574932

Analogs

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Popular Name: N-[[5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-(pyrazol-1-ylmeth…

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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	6.67	-40.92	2	4	1	48	234.323	6	↓ MOL2 SDF SMILES Flexibase

52574933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[5-methyl-4-(pyrazol-1-ylmeth…

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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	6.47	-38.3	2	4	1	48	234.323	5	↓ MOL2 SDF SMILES Flexibase

52574935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[5-methyl-4-(pyrazol…

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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	6.88	-36.55	2	4	1	48	248.35	5	↓ MOL2 SDF SMILES Flexibase

52574936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-methyl-4-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[5-methyl-4-(pyrazol…

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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	7.4	-40.94	2	4	1	48	248.35	6	↓ MOL2 SDF SMILES Flexibase

52574943

Analogs

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Popular Name: 2-methyl-N-[[3-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine 2-methyl-N-[[3-(pyrazol-1-ylmeth…

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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)	1.85	6.53	-37.79	2	4	1	48	234.323	6	↓ MOL2 SDF SMILES Flexibase

52574958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[3-(pyrazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine 2-methyl-N-[[3-(pyrazol-1-ylmeth…

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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)	1.91	6.04	-34.24	2	4	1	48	234.323	5	↓ MOL2 SDF SMILES Flexibase

52575821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-2-furyl]-N-methyl-methanamine 1-[3-[(3,5-dimethylpyrazol-1-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)	1.17	5.26	-38.26	2	4	1	48	220.296	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.17	5.36	-92.21	3	4	2	49	221.304	4	↓ MOL2 SDF SMILES Flexibase

52575822

Analogs

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Popular Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-2-furyl]methyl]ethanamine N-[[3-[(3,5-dimethylpyrazol-1-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	6.38	-31.35	2	4	1	48	234.323	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.54	6.14	-92.18	3	4	2	49	235.331	5	↓ MOL2 SDF SMILES Flexibase

52575823

Analogs

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Popular Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-2-furyl]methyl]propan-1-amine N-[[3-[(3,5-dimethylpyrazol-1-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)	2.05	7.13	-31.67	2	4	1	48	248.35	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.05	6.89	-93.72	3	4	2	49	249.358	6	↓ MOL2 SDF SMILES Flexibase

52575824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]-2-furyl]methyl]propan-2-amine N-[[3-[(3,5-dimethylpyrazol-1-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)	1.84	6.65	-35.31	2	4	1	48	248.35	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.84	6.75	-89.62	3	4	2	49	249.358	5	↓ MOL2 SDF SMILES Flexibase

52575826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]-2-furyl]methanamine [3-[(3,5-dimethylpyrazol-1-yl)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)	0.79	3.39	-43.63	3	4	1	59	206.269	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.79	3.49	-98.07	4	4	2	60	207.277	3	↓ MOL2 SDF SMILES Flexibase

52575861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-2-furyl]methanamine [4-[(3,5-dimethylpyrazol-1-yl)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)	1.02	4.23	-49.62	3	4	1	59	220.296	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.02	4.33	-87.76	4	4	2	60	221.304	3	↓ MOL2 SDF SMILES Flexibase

52575936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-[(3,5-dimethylpyrazol-1-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)	1.39	6.11	-44.02	2	4	1	48	234.323	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.39	6.2	-82.59	3	4	2	49	235.331	4	↓ MOL2 SDF SMILES Flexibase

52575937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-2-furyl]methyl]ethanamine N-[[4-[(3,5-dimethylpyrazol-1-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)	1.77	6.88	-43.81	2	4	1	48	248.35	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.77	6.97	-81.87	3	4	2	49	249.358	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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SQL Query Was

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