ZINC 12

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ZINC Item

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69467493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexyl-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-cyclohexyl-(2-methylpyraz…

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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	6.96	-44.46	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69467495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexyl-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-cyclohexyl-(2-methylpyraz…

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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	6.95	-44.96	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69467733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-[(1R,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(R)-[(1R,3S)-3-methylcyclohex…

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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)	3.04	6.8	-43.97	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69467736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(1R,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(S)-[(1R,3S)-3-methylcyclohex…

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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)	3.04	7.02	-42.67	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69467739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-[(1S,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(R)-[(1S,3S)-3-methylcyclohex…

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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)	3.04	6.73	-42.52	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69467741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(1S,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(S)-[(1S,3S)-3-methylcyclohex…

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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)	3.04	6.65	-44.15	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69467743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-[(1R,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-[(1R,3S)-3-methylcyclohex…

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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	7.56	-44.89	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69467745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(1R,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-[(1R,3S)-3-methylcyclohex…

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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	7.82	-43.46	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69467748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-[(1S,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-[(1S,3S)-3-methylcyclohex…

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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	7.5	-43.36	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69467749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(1S,3S)-3-methylcyclohexyl]-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-[(1S,3S)-3-methylcyclohex…

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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	7.34	-45.4	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69467751

Analogs

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Popular Name: N-[(R)-(4-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(R)-(4-methylcyclohexyl)-(2-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)	2.80	6.81	-43.88	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69467753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine N-[(S)-(4-methylcyclohexyl)-(2-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)	2.80	7.01	-42.76	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69467754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-(4-methylcyclohexyl)-(2-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)	3.31	7.57	-44.75	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69467756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-(4-methylcyclohexyl)-(2-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)	3.31	7.81	-43.61	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69470053

Analogs

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Popular Name: (R)-[(1R,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol (R)-[(1R,3S)-3-methylcyclohexyl]…

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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)	2.99	5.46	-4.86	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69470054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol (S)-[(1R,3S)-3-methylcyclohexyl]…

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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)	2.99	5.82	-5.08	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69470056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol (R)-[(1S,3S)-3-methylcyclohexyl]…

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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)	2.99	5.51	-5	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69470058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol (S)-[(1S,3S)-3-methylcyclohexyl]…

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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)	2.99	5.32	-5.13	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69470060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methanol (R)-(4-methylcyclohexyl)-(2-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)	2.75	5.46	-4.89	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69470062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methanol (S)-(4-methylcyclohexyl)-(2-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)	2.75	5.82	-5.13	1	3	0	38	236.359	4	↓ MOL2 SDF SMILES Flexibase

69471189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclohexyl-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (1R)-1-cyclohexyl-N-methyl-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)	3.54	7.25	-44.15	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69471191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclohexyl-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (1S)-1-cyclohexyl-N-methyl-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)	3.54	7.11	-44.02	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69471193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexyl-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(R)-cyclohexyl-(2-propylpyraz…

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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)	3.91	7.54	-44.1	2	3	1	34	250.41	6	↓ MOL2 SDF SMILES Flexibase

69471195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexyl-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(S)-cyclohexyl-(2-propylpyraz…

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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)	3.91	7.81	-43.3	2	3	1	34	250.41	6	↓ MOL2 SDF SMILES Flexibase

69471198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexyl-(2-ethylpyrazol-3-yl)methyl]ethanamine N-[(R)-cyclohexyl-(2-ethylpyrazo…

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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)	3.41	7	-43.42	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69471202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexyl-(2-ethylpyrazol-3-yl)methyl]ethanamine N-[(S)-cyclohexyl-(2-ethylpyrazo…

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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)	3.41	7.57	-40.87	2	3	1	34	236.383	5	↓ MOL2 SDF SMILES Flexibase

69471205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexyl-(2-propylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-cyclohexyl-(2-propylpyraz…

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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)	4.41	8.53	-44.37	2	3	1	34	264.437	7	↓ MOL2 SDF SMILES Flexibase

69471207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexyl-(2-propylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-cyclohexyl-(2-propylpyraz…

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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)	4.41	9.05	-40.81	2	3	1	34	264.437	7	↓ MOL2 SDF SMILES Flexibase

69471210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclohexyl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine N-[(R)-cyclohexyl-(2-ethylpyrazo…

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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)	3.91	7.95	-40.21	2	3	1	34	250.41	6	↓ MOL2 SDF SMILES Flexibase

69471211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclohexyl-(2-ethylpyrazol-3-yl)methyl]propan-1-amine N-[(S)-cyclohexyl-(2-ethylpyrazo…

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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)	3.91	7.66	-44.29	2	3	1	34	250.41	6	↓ MOL2 SDF SMILES Flexibase

69471812

Analogs

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Popular Name: (R)-[(1R,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanamine (R)-[(1R,3S)-3-methylcyclohexyl]…

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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)	1.29	5.94	-50.51	3	3	1	45	236.383	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	5.7	-4.75	2	3	0	44	235.375	4	↓ MOL2 SDF SMILES Flexibase

69471813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanamine (S)-[(1R,3S)-3-methylcyclohexyl]…

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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)	1.29	6.2	-50.5	3	3	1	45	236.383	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	5.91	-3.94	2	3	0	44	235.375	4	↓ MOL2 SDF SMILES Flexibase

69471816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanamine (R)-[(1S,3S)-3-methylcyclohexyl]…

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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)	1.29	5.9	-50.85	3	3	1	45	236.383	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	5.59	-4.76	2	3	0	44	235.375	4	↓ MOL2 SDF SMILES Flexibase

69471819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanamine (S)-[(1S,3S)-3-methylcyclohexyl]…

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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)	1.29	5.81	-50.67	3	3	1	45	236.383	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.29	5.54	-3.88	2	3	0	44	235.375	4	↓ MOL2 SDF SMILES Flexibase

69471820

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Popular Name: (1R)-N-methyl-1-[(1R,3S)-3-methylcyclohexyl]-1-(2-propylpyrazol-3-yl)methanamine (1R)-N-methyl-1-[(1R,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)	3.54	7.7	-44.47	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471821

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Popular Name: (1S)-N-methyl-1-[(1R,3S)-3-methylcyclohexyl]-1-(2-propylpyrazol-3-yl)methanamine (1S)-N-methyl-1-[(1R,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)	3.54	7.72	-44.38	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471823

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Popular Name: (1R)-N-methyl-1-[(1S,3S)-3-methylcyclohexyl]-1-(2-propylpyrazol-3-yl)methanamine (1R)-N-methyl-1-[(1S,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)	3.54	7.65	-44.62	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471824

Analogs

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Popular Name: (1S)-N-methyl-1-[(1S,3S)-3-methylcyclohexyl]-1-(2-propylpyrazol-3-yl)methanamine (1S)-N-methyl-1-[(1S,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)	3.54	7.5	-44.5	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471825

Analogs

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Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1R,3S)-3-methylcyclohexyl]methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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)	3.04	6.95	-44.45	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69471826

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1R,3S)-3-methylcyclohexyl]methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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)	3.04	6.99	-44.3	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69471829

Analogs

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Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1S,3S)-3-methylcyclohexyl]methanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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)	3.04	6.91	-44.63	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69471831

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-1-[(1S,3S)-3-methylcyclohexyl]methanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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)	3.04	6.76	-44.42	2	3	1	34	236.383	4	↓ MOL2 SDF SMILES Flexibase

69471833

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Popular Name: N-[(R)-[(1R,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(R)-[(1R,3S)-3-methylcyclohex…

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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)	3.92	8.13	-44.62	2	3	1	34	264.437	6	↓ MOL2 SDF SMILES Flexibase

69471834

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Popular Name: N-[(S)-[(1R,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(S)-[(1R,3S)-3-methylcyclohex…

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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)	3.92	8.57	-42.18	2	3	1	34	264.437	6	↓ MOL2 SDF SMILES Flexibase

69471836

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Popular Name: N-[(R)-[(1S,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(R)-[(1S,3S)-3-methylcyclohex…

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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)	3.92	8.32	-42.63	2	3	1	34	264.437	6	↓ MOL2 SDF SMILES Flexibase

69471838

Analogs

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Popular Name: N-[(S)-[(1S,3S)-3-methylcyclohexyl]-(2-propylpyrazol-3-yl)methyl]ethanamine N-[(S)-[(1S,3S)-3-methylcyclohex…

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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)	3.92	8.19	-43.76	2	3	1	34	264.437	6	↓ MOL2 SDF SMILES Flexibase

69471839

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-[(1R,3S)-3-methylcyclohexyl]methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	7.61	-43.9	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471842

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-[(1R,3S)-3-methylcyclohexyl]methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	7.51	-44.15	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471844

Analogs

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Popular Name: N-[(R)-(2-ethylpyrazol-3-yl)-[(1S,3S)-3-methylcyclohexyl]methyl]ethanamine N-[(R)-(2-ethylpyrazol-3-yl)-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	7.59	-42.44	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

69471846

Analogs

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Popular Name: N-[(S)-(2-ethylpyrazol-3-yl)-[(1S,3S)-3-methylcyclohexyl]methyl]ethanamine N-[(S)-(2-ethylpyrazol-3-yl)-[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	7.96	-41.23	2	3	1	34	250.41	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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