ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

11829668

Analogs

11833036

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(cyclohexyl-methyl-amino)ethoxy]benzoic 2-[2-(cyclohexyl-methyl-amino)et…

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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)	3.87	1.83	-61.37	1	4	0	54	277.364	6	↓ MOL2 SDF SMILES Flexibase

11833036

Analogs

11829668

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(cyclohexyl-ethyl-amino)ethoxy]benzoic 2-[2-(cyclohexyl-ethyl-amino)eth…

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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)	4.25	1.7	-58.79	1	4	0	54	291.391	7	↓ MOL2 SDF SMILES Flexibase

53562858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-[(E)-prop-1-enyl]phenoxy]ethyl]cyclohexanamine N-[2-[2-[(E)-prop-1-enyl]phenoxy…

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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)	4.56	9.34	-38.77	2	2	1	26	260.401	6	↓ MOL2 SDF SMILES Flexibase

53562871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,6-dimethoxyphenoxy)ethyl]-4-methyl-cyclohexanamine N-[2-(2,6-dimethoxyphenoxy)ethyl…

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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)	3.08	7.53	-34.7	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methyl-cyclohexanamine (1S,2R)-N-[2-(2,6-dimethoxypheno…

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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)	3.55	7.61	-34.2	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methyl-cyclohexanamine (1S,2S)-N-[2-(2,6-dimethoxypheno…

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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)	3.55	7.81	-33.47	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methyl-cyclohexanamine (1R,2R)-N-[2-(2,6-dimethoxypheno…

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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)	3.55	7.81	-33.22	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methyl-cyclohexanamine (1R,2S)-N-[2-(2,6-dimethoxypheno…

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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)	3.55	7.61	-33.53	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(2,6-dimethoxypheno…

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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	7.74	-35.02	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-(2,6-dimethoxypheno…

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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	7.5	-34.7	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[2-(2,6-dimethoxypheno…

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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	7.5	-34.36	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53562958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-(2,6-dimethoxypheno…

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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	7.73	-34.53	2	4	1	44	294.415	7	↓ MOL2 SDF SMILES Flexibase

53563393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexanamine N-[2-[2-(trifluoromethyl)phenoxy…

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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)	4.53	8.41	-39.05	2	2	1	26	288.333	6	↓ MOL2 SDF SMILES Flexibase

53563401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4-difluorophenoxy)ethyl]-4-methyl-cyclohexanamine N-[2-(2,4-difluorophenoxy)ethyl]…

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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)	3.71	7.84	-42.92	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-cyclohexanamine (1S,2R)-N-[2-(2,4-difluorophenox…

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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)	4.18	7.93	-42.61	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-cyclohexanamine (1S,2S)-N-[2-(2,4-difluorophenox…

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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)	4.18	8.12	-41.81	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-cyclohexanamine (1R,2R)-N-[2-(2,4-difluorophenox…

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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)	4.18	8.12	-41.48	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-cyclohexanamine (1R,2S)-N-[2-(2,4-difluorophenox…

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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)	4.18	7.93	-41.78	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[2-(2,4-difluorophenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(2,4-difluorophenox…

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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)	3.95	8.06	-43.29	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[2-(2,4-difluorophenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-(2,4-difluorophenox…

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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)	3.95	7.82	-43.02	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[2-(2,4-difluorophenoxy)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[2-(2,4-difluorophenox…

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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)	3.95	7.82	-42.51	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[2-(2,4-difluorophenoxy)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-(2,4-difluorophenox…

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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)	3.95	8.05	-42.64	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,4-difluorophenoxy)propyl]cyclohexanamine N-[(2S)-2-(2,4-difluorophenoxy)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)	4.30	8.01	-41.14	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53563665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,4-difluorophenoxy)propyl]cyclohexanamine N-[(2R)-2-(2,4-difluorophenoxy)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)	4.30	8.04	-41.46	2	2	1	26	270.343	5	↓ MOL2 SDF SMILES Flexibase

53564203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-bromo-4-fluoro-phenoxy)propyl]cyclohexanamine N-[(2S)-2-(2-bromo-4-fluoro-phen…

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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)	4.95	8.61	-40.78	2	2	1	26	331.249	5	↓ MOL2 SDF SMILES Flexibase

53564205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-bromo-4-fluoro-phenoxy)propyl]cyclohexanamine N-[(2R)-2-(2-bromo-4-fluoro-phen…

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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)	4.95	8.65	-41.02	2	2	1	26	331.249	5	↓ MOL2 SDF SMILES Flexibase

53564267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-bromo-4-fluoro-phenoxy)ethyl]cyclohexanamine N-[2-(2-bromo-4-fluoro-phenoxy)e…

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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)	4.58	8.06	-42.29	2	2	1	26	317.222	5	↓ MOL2 SDF SMILES Flexibase

53564467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-ethoxyphenoxy)propyl]cyclohexanamine N-[(2S)-2-(4-ethoxyphenoxy)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)	4.48	8.09	-39.45	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53564469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-ethoxyphenoxy)propyl]cyclohexanamine N-[(2R)-2-(4-ethoxyphenoxy)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)	4.48	8.12	-39.35	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53564683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,4-dimethylphenoxy)propyl]cyclohexanamine N-[(2S)-2-(2,4-dimethylphenoxy)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)	4.87	9.3	-37.49	2	2	1	26	262.417	5	↓ MOL2 SDF SMILES Flexibase

53564685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,4-dimethylphenoxy)propyl]cyclohexanamine N-[(2R)-2-(2,4-dimethylphenoxy)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)	4.87	9.32	-37.53	2	2	1	26	262.417	5	↓ MOL2 SDF SMILES Flexibase

53564988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-cyclohexanamine N-[2-(2-ethoxyphenoxy)ethyl]-4-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)	3.45	8.51	-38.47	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[2-(2-ethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1R,3S)-N-[2-(2-ethoxyphenoxy)et…

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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)	3.68	8.72	-37.8	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[2-(2-ethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3S)-N-[2-(2-ethoxyphenoxy)et…

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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)	3.68	8.49	-38.02	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[2-(2-ethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1R,3R)-N-[2-(2-ethoxyphenoxy)et…

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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)	3.68	8.49	-37.66	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565104

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Popular Name: (1S,3R)-N-[2-(2-ethoxyphenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(2-ethoxyphenoxy)et…

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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)	3.68	8.72	-38.33	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565156

Analogs

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Popular Name: N-[(2S)-2-(2-ethoxyphenoxy)propyl]cyclohexanamine N-[(2S)-2-(2-ethoxyphenoxy)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)	4.04	8.66	-36.62	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565158

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Popular Name: N-[(2R)-2-(2-ethoxyphenoxy)propyl]cyclohexanamine N-[(2R)-2-(2-ethoxyphenoxy)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)	4.04	8.69	-36.87	2	3	1	35	278.416	7	↓ MOL2 SDF SMILES Flexibase

53565454

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Popular Name: N-[(2S)-2-(2,3-dimethylphenoxy)propyl]cyclohexanamine N-[(2S)-2-(2,3-dimethylphenoxy)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)	4.85	9.17	-37.45	2	2	1	26	262.417	5	↓ MOL2 SDF SMILES Flexibase

53565455

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Popular Name: N-[(2R)-2-(2,3-dimethylphenoxy)propyl]cyclohexanamine N-[(2R)-2-(2,3-dimethylphenoxy)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)	4.85	9.21	-37.77	2	2	1	26	262.417	5	↓ MOL2 SDF SMILES Flexibase

53565496

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Popular Name: N-[2-(3-methoxyphenoxy)ethyl]-4-methyl-cyclohexanamine N-[2-(3-methoxyphenoxy)ethyl]-4-…

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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)	3.49	7	-40.37	2	3	1	35	264.389	6	↓ MOL2 SDF SMILES Flexibase

53565634

Analogs

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Popular Name: N-[(2S)-2-(3-methoxyphenoxy)propyl]cyclohexanamine N-[(2S)-2-(3-methoxyphenoxy)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)	4.08	7.18	-37.76	2	3	1	35	264.389	6	↓ MOL2 SDF SMILES Flexibase

53565636

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Popular Name: N-[(2R)-2-(3-methoxyphenoxy)propyl]cyclohexanamine N-[(2R)-2-(3-methoxyphenoxy)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)	4.08	7.19	-38.04	2	3	1	35	264.389	6	↓ MOL2 SDF SMILES Flexibase

53565803

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Popular Name: cyclohexanamine, N-[2-(4-ethylphenoxy)propyl]- cyclohexanamine, N-[2-(4-ethylph…

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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)	4.96	9.32	-36.92	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

53565805

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Popular Name: cyclohexanamine, N-[2-(4-ethylphenoxy)propyl]- cyclohexanamine, N-[2-(4-ethylph…

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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)	4.96	9.35	-37.03	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

53566116

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Popular Name: N-[(2S)-2-(2-fluorophenoxy)propyl]cyclohexanamine N-[(2S)-2-(2-fluorophenoxy)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)	4.16	7.94	-38.11	2	2	1	26	252.353	5	↓ MOL2 SDF SMILES Flexibase

53566118

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Popular Name: N-[(2R)-2-(2-fluorophenoxy)propyl]cyclohexanamine N-[(2R)-2-(2-fluorophenoxy)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)	4.16	7.97	-38.43	2	2	1	26	252.353	5	↓ MOL2 SDF SMILES Flexibase

53566202

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Popular Name: N-[(2S)-2-(4-bromophenoxy)propyl]cyclohexanamine N-[(2S)-2-(4-bromophenoxy)propyl…

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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)	4.86	8.5	-39.95	2	2	1	26	313.259	5	↓ MOL2 SDF SMILES Flexibase

53566204

Analogs

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Popular Name: N-[(2R)-2-(4-bromophenoxy)propyl]cyclohexanamine N-[(2R)-2-(4-bromophenoxy)propyl…

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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)	4.86	8.52	-40.16	2	2	1	26	313.259	5	↓ MOL2 SDF SMILES Flexibase

53566263

Analogs

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Popular Name: (1S,3R)-N-[2-(2-chlorophenoxy)ethyl]-3-methyl-cyclohexanamine (1S,3R)-N-[2-(2-chlorophenoxy)et…

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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)	4.32	8.47	-39.25	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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