ZINC 12

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)	4.07	9.4	-34	3	2	1	30	261.433	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.07	7.85	-1.35	2	2	0	29	260.425	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.07	8.88	-120.88	4	2	2	32	262.441	5	↓ MOL2 SDF SMILES Flexibase

52883495

Analogs

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Popular Name: (2R)-N1-(cyclohexylmethyl)-N1-methyl-2-phenyl-propane-1,2-diamine (2R)-N1-(cyclohexylmethyl)-N1-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)	4.07	8.75	-34.01	3	2	1	30	261.433	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.07	7.13	-1.14	2	2	0	29	260.425	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.07	8.98	-120.53	4	2	2	32	262.441	5	↓ MOL2 SDF SMILES Flexibase

52918499

Analogs

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Popular Name: 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]aniline 2-[2-[cyclohexylmethyl(methyl)am…

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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	9.23	-38.45	3	2	1	30	247.406	5	↓ MOL2 SDF SMILES Flexibase

57993628

Analogs

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Popular Name: (2S)-N-(cyclohexylmethyl)-1-(4-fluorophenyl)propan-2-amine (2S)-N-(cyclohexylmethyl)-1-(4-f…

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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)	4.68	9.98	-41.13	2	1	1	17	250.381	5	↓ MOL2 SDF SMILES Flexibase

57993631

Analogs

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Popular Name: (2R)-N-(cyclohexylmethyl)-1-(4-fluorophenyl)propan-2-amine (2R)-N-(cyclohexylmethyl)-1-(4-f…

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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)	4.68	9.99	-41.2	2	1	1	17	250.381	5	↓ MOL2 SDF SMILES Flexibase

52336779

Analogs

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Popular Name: 4-[(1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-[[(1S)-1-cyclohexyleth…

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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)	3.28	7	-50.24	3	3	1	61	273.4	5	↓ MOL2 SDF SMILES Flexibase

52336782

Analogs

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Popular Name: 4-[(1R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-[[(1R)-1-cyclohexyleth…

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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)	3.28	7.08	-50.01	3	3	1	61	273.4	5	↓ MOL2 SDF SMILES Flexibase

52336784

Analogs

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Popular Name: 4-[(1S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-[[(1S)-1-cyclohexyleth…

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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)	3.28	7.02	-50.09	3	3	1	61	273.4	5	↓ MOL2 SDF SMILES Flexibase

52336786

Analogs

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Popular Name: 4-[(1S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-[[(1R)-1-cyclohexyleth…

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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)	3.28	7.02	-49.94	3	3	1	61	273.4	5	↓ MOL2 SDF SMILES Flexibase

52336912

Analogs

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Popular Name: (2R)-1-[[(1S)-1-cyclohexylethyl]amino]-2-phenyl-propan-2-ol (2R)-1-[[(1S)-1-cyclohexylethyl]…

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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)	4.11	7.05	-39.8	3	2	1	37	262.417	5	↓ MOL2 SDF SMILES Flexibase

52336914

Analogs

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Popular Name: (2R)-1-[[(1R)-1-cyclohexylethyl]amino]-2-phenyl-propan-2-ol (2R)-1-[[(1R)-1-cyclohexylethyl]…

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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)	4.11	7.13	-39.52	3	2	1	37	262.417	5	↓ MOL2 SDF SMILES Flexibase

52336917

Analogs

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Popular Name: (2S)-1-[[(1S)-1-cyclohexylethyl]amino]-2-phenyl-propan-2-ol (2S)-1-[[(1S)-1-cyclohexylethyl]…

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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)	4.11	7.07	-40.09	3	2	1	37	262.417	5	↓ MOL2 SDF SMILES Flexibase

52336920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R)-1-cyclohexylethyl]amino]-2-phenyl-propan-2-ol (2S)-1-[[(1R)-1-cyclohexylethyl]…

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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)	4.11	7.14	-39.51	3	2	1	37	262.417	5	↓ MOL2 SDF SMILES Flexibase

52337247

Analogs

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Popular Name: (1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(4-fluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclohexylethyl]…

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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	6.67	-45.03	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337250

Analogs

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Popular Name: (1R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(4-fluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclohexylethyl]…

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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	6.75	-44.67	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337253

Analogs

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Popular Name: (1S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(4-fluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclohexylethyl]…

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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	6.69	-44.78	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337255

Analogs

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Popular Name: (1S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(4-fluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclohexylethyl]…

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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	6.69	-44.62	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337257

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]ethanol (1R)-1-(3-bromophenyl)-2-[[(1S)-…

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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)	4.31	7.23	-42.78	3	2	1	37	327.286	5	↓ MOL2 SDF SMILES Flexibase

52337260

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanol (1R)-1-(3-bromophenyl)-2-[[(1R)-…

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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)	4.31	7.3	-42.39	3	2	1	37	327.286	5	↓ MOL2 SDF SMILES Flexibase

52337263

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]ethanol (1S)-1-(3-bromophenyl)-2-[[(1S)-…

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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)	4.31	7.17	-42.93	3	2	1	37	327.286	5	↓ MOL2 SDF SMILES Flexibase

52337264

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanol (1S)-1-(3-bromophenyl)-2-[[(1R)-…

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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)	4.31	7.24	-42.46	3	2	1	37	327.286	5	↓ MOL2 SDF SMILES Flexibase

52337267

Analogs

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Popular Name: (1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2-fluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.64	6.68	-38.61	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337269

Analogs

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Popular Name: (1R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2-fluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.64	6.76	-38.07	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337272

Analogs

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Popular Name: (1S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2-fluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.64	6.63	-38.23	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337276

Analogs

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Popular Name: (1S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2-fluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.64	6.71	-38.04	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

52337279

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]ethanol (1R)-1-(4-chlorophenyl)-2-[[(1S)…

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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)	4.21	7.13	-43.82	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337281

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanol (1R)-1-(4-chlorophenyl)-2-[[(1R)…

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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)	4.21	7.2	-43.54	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337284

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]ethanol (1S)-1-(4-chlorophenyl)-2-[[(1S)…

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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)	4.21	7.15	-43.63	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337287

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanol (1S)-1-(4-chlorophenyl)-2-[[(1R)…

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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)	4.21	7.14	-43.45	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337315

Analogs

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Popular Name: (1R)-1-(2-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]ethanol (1R)-1-(2-chlorophenyl)-2-[[(1S)…

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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	7.06	-37.85	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337320

Analogs

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Popular Name: (1R)-1-(2-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanol (1R)-1-(2-chlorophenyl)-2-[[(1R)…

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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	7.14	-37.26	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337321

Analogs

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Popular Name: (1S)-1-(2-chlorophenyl)-2-[[(1S)-1-cyclohexylethyl]amino]ethanol (1S)-1-(2-chlorophenyl)-2-[[(1S)…

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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	7.03	-37.46	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337324

Analogs

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Popular Name: (1S)-1-(2-chlorophenyl)-2-[[(1R)-1-cyclohexylethyl]amino]ethanol (1S)-1-(2-chlorophenyl)-2-[[(1R)…

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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	7.11	-37.3	3	2	1	37	282.835	5	↓ MOL2 SDF SMILES Flexibase

52337327

Analogs

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Popular Name: (1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2,5-dichlorophenyl)ethanol (1R)-2-[[(1S)-1-cyclohexylethyl]…

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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)	4.81	7.57	-39.19	3	2	1	37	317.28	5	↓ MOL2 SDF SMILES Flexibase

52337329

Analogs

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Popular Name: (1R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2,5-dichlorophenyl)ethanol (1R)-2-[[(1R)-1-cyclohexylethyl]…

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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)	4.81	7.65	-38.58	3	2	1	37	317.28	5	↓ MOL2 SDF SMILES Flexibase

52337332

Analogs

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Popular Name: (1S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2,5-dichlorophenyl)ethanol (1S)-2-[[(1S)-1-cyclohexylethyl]…

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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)	4.81	7.54	-38.95	3	2	1	37	317.28	5	↓ MOL2 SDF SMILES Flexibase

52337336

Analogs

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Popular Name: (1S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2,5-dichlorophenyl)ethanol (1S)-2-[[(1R)-1-cyclohexylethyl]…

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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)	4.81	7.62	-38.63	3	2	1	37	317.28	5	↓ MOL2 SDF SMILES Flexibase

52337339

Analogs

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Popular Name: (1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.79	6.82	-42.21	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337343

Analogs

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Popular Name: (1R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.79	6.82	-42.09	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.79	6.7	-42.39	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.79	6.78	-42.16	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.79	6.73	-40.48	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.79	6.81	-39.99	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.79	6.69	-40.28	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclohexylethyl]…

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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)	3.79	6.77	-39.99	3	2	1	37	284.37	5	↓ MOL2 SDF SMILES Flexibase

52337365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-(3-fluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclohexylethyl]…

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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)	3.67	6.68	-43.82	3	2	1	37	266.38	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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