ZINC 12

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ZINC Item

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69661934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(5-bromo-2-furyl)methyl]-1-cyclopropyl-propan-2-amine (2S)-N-[(5-bromo-2-furyl)methyl]…

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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	6.96	-38.87	2	2	1	30	259.167	5	↓ MOL2 SDF SMILES Flexibase

69661938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(5-bromo-2-furyl)methyl]-1-cyclopropyl-propan-2-amine (2R)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	7	-39.81	2	2	1	30	259.167	5	↓ MOL2 SDF SMILES Flexibase

69662108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(5-nitro-2-furyl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(5-nitro-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)	2.31	6.93	-50.16	2	5	1	76	225.268	6	↓ MOL2 SDF SMILES Flexibase

69662113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(5-nitro-2-furyl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(5-nitro-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)	2.31	6.99	-51.35	2	5	1	76	225.268	6	↓ MOL2 SDF SMILES Flexibase

69662201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-(2-furyl)propan-1-amine (1S)-N-[(1S)-2-cyclopropyl-1-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)	3.29	7.37	-33.18	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69662205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-(2-furyl)propan-1-amine (1R)-N-[(1S)-2-cyclopropyl-1-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)	3.29	7.58	-31.89	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69662211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-(2-furyl)propan-1-amine (1S)-N-[(1R)-2-cyclopropyl-1-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)	3.29	7.59	-31.82	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69662213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-(2-furyl)propan-1-amine (1R)-N-[(1R)-2-cyclopropyl-1-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)	3.29	7.37	-33.69	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69662294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(5-methyl-2-furyl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(5-methyl-…

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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	7.05	-35.73	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

69662296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(5-methyl-2-furyl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(5-methyl-…

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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	7.09	-36.53	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

69662928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]propan-2-amine (2S)-1-cyclopropyl-N-[[5-(methyl…

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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	8.28	-38.15	2	2	1	30	240.392	7	↓ MOL2 SDF SMILES Flexibase

69662931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]propan-2-amine (2R)-1-cyclopropyl-N-[[5-(methyl…

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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	8.33	-39.11	2	2	1	30	240.392	7	↓ MOL2 SDF SMILES Flexibase

69663131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]propan-2-amine (2S)-1-cyclopropyl-N-[(1R)-1-(5-…

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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)	3.00	7.6	-33.09	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

69663135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]propan-2-amine (2S)-1-cyclopropyl-N-[(1S)-1-(5-…

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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)	3.00	7.54	-32.87	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

69663137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]propan-2-amine (2R)-1-cyclopropyl-N-[(1R)-1-(5-…

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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)	3.00	7.59	-33.3	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

69663140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]propan-2-amine (2R)-1-cyclopropyl-N-[(1S)-1-(5-…

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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)	3.00	7.65	-33.74	2	2	1	30	208.325	5	↓ MOL2 SDF SMILES Flexibase

69663704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]propan-2-amine (2S)-1-cyclopropyl-N-[(1S)-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)	2.78	6.72	-33.02	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

69663707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]propan-2-amine (2R)-1-cyclopropyl-N-[(1S)-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)	2.78	6.77	-33.24	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

69663711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]propan-2-amine (2S)-1-cyclopropyl-N-[(1R)-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)	2.78	6.78	-33.28	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

69663714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]propan-2-amine (2R)-1-cyclopropyl-N-[(1R)-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)	2.78	6.77	-33.57	2	2	1	30	194.298	5	↓ MOL2 SDF SMILES Flexibase

69663759

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(5-chloro-2-furyl)methyl]-1-cyclopropyl-propan-2-amine (2S)-N-[(5-chloro-2-furyl)methyl…

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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	6.85	-38.91	2	2	1	30	214.716	5	↓ MOL2 SDF SMILES Flexibase

69663762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(5-chloro-2-furyl)methyl]-1-cyclopropyl-propan-2-amine (2R)-N-[(5-chloro-2-furyl)methyl…

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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	6.89	-39.93	2	2	1	30	214.716	5	↓ MOL2 SDF SMILES Flexibase

69663786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(5-ethyl-2-furyl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(5-ethyl-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)	3.02	7.83	-35.69	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69663789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(5-ethyl-2-furyl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(5-ethyl-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)	3.02	7.88	-36.58	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69663792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(4,5-dibromo-2-furyl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(4,5-dibro…

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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)	3.89	7.55	-41.28	2	2	1	30	338.063	5	↓ MOL2 SDF SMILES Flexibase

69663794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(4,5-dibromo-2-furyl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(4,5-dibro…

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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)	3.89	7.6	-42.25	2	2	1	30	338.063	5	↓ MOL2 SDF SMILES Flexibase

69663797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]methyl]furan-2-carboxylic 5-[[[(1S)-2-cyclopropyl-1-methyl…

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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	7.16	-65.37	2	4	0	70	223.272	6	↓ MOL2 SDF SMILES Flexibase

69663800

Analogs

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Popular Name: 5-[[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]methyl]furan-2-carboxylic 5-[[[(1R)-2-cyclopropyl-1-methyl…

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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	7.21	-65.68	2	4	0	70	223.272	6	↓ MOL2 SDF SMILES Flexibase

69663852

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-(2-furylmethyl)propan-2-amine (2S)-1-cyclopropyl-N-(2-furylmet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	6.22	-35.71	2	2	1	30	180.271	5	↓ MOL2 SDF SMILES Flexibase

69663857

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-(2-furylmethyl)propan-2-amine (2R)-1-cyclopropyl-N-(2-furylmet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	6.28	-36.54	2	2	1	30	180.271	5	↓ MOL2 SDF SMILES Flexibase

69664176

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(5-iodo-2-furyl)methyl]propan-2-amine (2S)-1-cyclopropyl-N-[(5-iodo-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)	3.43	7.43	-38.47	2	2	1	30	306.167	5	↓ MOL2 SDF SMILES Flexibase

69664177

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(5-iodo-2-furyl)methyl]propan-2-amine (2R)-1-cyclopropyl-N-[(5-iodo-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)	3.43	7.47	-39.41	2	2	1	30	306.167	5	↓ MOL2 SDF SMILES Flexibase

69670754

Analogs

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Popular Name: (2S)-N-[(5-bromo-2-furyl)methyl]-1-cyclopropyl-butan-2-amine (2S)-N-[(5-bromo-2-furyl)methyl]…

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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)	3.69	7.56	-39.41	2	2	1	30	273.194	6	↓ MOL2 SDF SMILES Flexibase

69670757

Analogs

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Popular Name: (2R)-N-[(5-bromo-2-furyl)methyl]-1-cyclopropyl-butan-2-amine (2R)-N-[(5-bromo-2-furyl)methyl]…

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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)	3.69	7.62	-40.23	2	2	1	30	273.194	6	↓ MOL2 SDF SMILES Flexibase

69670871

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(1S)-1-(2-furyl)propyl]butan-2-amine (2S)-1-cyclopropyl-N-[(1S)-1-(2-…

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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)	3.82	7.97	-30.55	2	2	1	30	222.352	7	↓ MOL2 SDF SMILES Flexibase

69670873

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(1S)-1-(2-furyl)propyl]butan-2-amine (2R)-1-cyclopropyl-N-[(1S)-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)	3.82	8.07	-31.62	2	2	1	30	222.352	7	↓ MOL2 SDF SMILES Flexibase

69670876

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(1R)-1-(2-furyl)propyl]butan-2-amine (2S)-1-cyclopropyl-N-[(1R)-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)	3.82	7.78	-31.18	2	2	1	30	222.352	7	↓ MOL2 SDF SMILES Flexibase

69670879

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(1R)-1-(2-furyl)propyl]butan-2-amine (2R)-1-cyclopropyl-N-[(1R)-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)	3.82	7.83	-31.31	2	2	1	30	222.352	7	↓ MOL2 SDF SMILES Flexibase

69670935

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(5-methyl-2-furyl)methyl]butan-2-amine (2S)-1-cyclopropyl-N-[(5-methyl-…

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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)	2.98	7.65	-36.14	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69670937

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(5-methyl-2-furyl)methyl]butan-2-amine (2R)-1-cyclopropyl-N-[(5-methyl-…

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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)	2.98	7.71	-36.89	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69671280

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]butan-2-amine (2S)-1-cyclopropyl-N-[(1S)-1-(5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	8.15	-32.94	2	2	1	30	222.352	6	↓ MOL2 SDF SMILES Flexibase

69671284

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]butan-2-amine (2R)-1-cyclopropyl-N-[(1S)-1-(5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	8.01	-32.07	2	2	1	30	222.352	6	↓ MOL2 SDF SMILES Flexibase

69671288

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]butan-2-amine (2S)-1-cyclopropyl-N-[(1R)-1-(5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	7.98	-30.99	2	2	1	30	222.352	6	↓ MOL2 SDF SMILES Flexibase

69671292

Analogs

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Popular Name: (2R)-1-cyclopropyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]butan-2-amine (2R)-1-cyclopropyl-N-[(1R)-1-(5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	8.2	-33.52	2	2	1	30	222.352	6	↓ MOL2 SDF SMILES Flexibase

69671553

Analogs

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Popular Name: (2S)-1-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]butan-2-amine (2S)-1-cyclopropyl-N-[(1S)-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)	3.32	7.33	-33.18	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69671557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]butan-2-amine (2R)-1-cyclopropyl-N-[(1S)-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)	3.32	7.19	-32.32	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69671561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]butan-2-amine (2S)-1-cyclopropyl-N-[(1R)-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)	3.32	7.16	-31.29	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69671564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]butan-2-amine (2R)-1-cyclopropyl-N-[(1R)-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)	3.32	7.38	-33.74	2	2	1	30	208.325	6	↓ MOL2 SDF SMILES Flexibase

69671598

Analogs

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Popular Name: (2S)-N-[(5-chloro-2-furyl)methyl]-1-cyclopropyl-butan-2-amine (2S)-N-[(5-chloro-2-furyl)methyl…

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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)	3.56	7.45	-39.55	2	2	1	30	228.743	6	↓ MOL2 SDF SMILES Flexibase

69671601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(5-chloro-2-furyl)methyl]-1-cyclopropyl-butan-2-amine (2R)-N-[(5-chloro-2-furyl)methyl…

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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)	3.56	7.51	-40.3	2	2	1	30	228.743	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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