ZINC 12

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ZINC Item

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68872406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2-methoxy-phenyl)-[(1R)-cyclohex-3-en-1-yl]methanol (R)-(5-chloro-2-methoxy-phenyl)-…

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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)	3.59	6.05	-3.81	1	2	0	29	252.741	3	↓ MOL2 SDF SMILES Flexibase

68872411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2-methoxy-phenyl)-[(1R)-cyclohex-3-en-1-yl]methanol (S)-(5-chloro-2-methoxy-phenyl)-…

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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)	3.59	5.97	-3.72	1	2	0	29	252.741	3	↓ MOL2 SDF SMILES Flexibase

68872414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2-methoxy-phenyl)-[(1S)-cyclohex-3-en-1-yl]methanol (R)-(5-chloro-2-methoxy-phenyl)-…

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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)	3.59	5.96	-3.73	1	2	0	29	252.741	3	↓ MOL2 SDF SMILES Flexibase

68872415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2-methoxy-phenyl)-[(1S)-cyclohex-3-en-1-yl]methanol (S)-(5-chloro-2-methoxy-phenyl)-…

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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)	3.59	6.02	-3.76	1	2	0	29	252.741	3	↓ MOL2 SDF SMILES Flexibase

68872435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(2,4-dimethoxyphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	2.97	4.83	-5.64	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(2,4-dimethoxyphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	2.97	4.77	-5.41	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(2,4-dimethoxyphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(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)	2.97	4.77	-5.44	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(2,4-dimethoxyphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(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)	2.97	4.79	-5.61	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(3,4-diethoxyphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(3…

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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	7.06	-6.9	1	3	0	39	276.376	6	↓ MOL2 SDF SMILES Flexibase

68872455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(3,4-diethoxyphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(3…

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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	6.95	-6.77	1	3	0	39	276.376	6	↓ MOL2 SDF SMILES Flexibase

68872457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(3,4-diethoxyphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(3…

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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	6.96	-6.81	1	3	0	39	276.376	6	↓ MOL2 SDF SMILES Flexibase

68872460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(3,4-diethoxyphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(3…

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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	7.1	-6.76	1	3	0	39	276.376	6	↓ MOL2 SDF SMILES Flexibase

68872472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(4-isopropylphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	4.44	7.96	-2.7	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(4-isopropylphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	4.44	7.84	-2.69	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(4-isopropylphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(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)	4.44	7.85	-2.67	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(4-isopropylphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(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)	4.44	7.99	-2.6	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(4-propoxyphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	3.86	7.05	-4.05	1	2	0	29	246.35	5	↓ MOL2 SDF SMILES Flexibase

68872502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(4-propoxyphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	3.86	6.93	-4.09	1	2	0	29	246.35	5	↓ MOL2 SDF SMILES Flexibase

68872507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(4-propoxyphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(4…

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Activity (Go SEA)

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)	3.86	6.94	-4.08	1	2	0	29	246.35	5	↓ MOL2 SDF SMILES Flexibase

68872509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(4-propoxyphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.86	7.09	-4	1	2	0	29	246.35	5	↓ MOL2 SDF SMILES Flexibase

68872511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(4-propylphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	4.23	8.25	-2.74	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(4-propylphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	4.23	8.13	-2.7	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(4-propylphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.23	8.14	-2.65	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(4-propylphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(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)	4.23	8.29	-2.67	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(4-isopropoxyphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	3.72	6.88	-4.28	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(4-isopropoxyphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	3.72	6.75	-4.22	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(4-isopropoxyphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(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)	3.72	6.77	-4.26	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(4-isopropoxyphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(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)	3.72	6.91	-4.2	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-[2-(trifluoromethyl)phenyl]methanol (R)-[(1R)-cyclohex-3-en-1-yl]-[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)	3.77	6.82	-4.56	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-[2-(trifluoromethyl)phenyl]methanol (S)-[(1R)-cyclohex-3-en-1-yl]-[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)	3.77	6.51	-5.08	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-[2-(trifluoromethyl)phenyl]methanol (R)-[(1S)-cyclohex-3-en-1-yl]-[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)	3.77	6.48	-5.11	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-[2-(trifluoromethyl)phenyl]methanol (S)-[(1S)-cyclohex-3-en-1-yl]-[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)	3.77	6.78	-4.56	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(2,5-dimethoxyphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	2.97	4.81	-5.21	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(2,5-dimethoxyphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	2.97	4.76	-5.04	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872578

Analogs

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Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(2,5-dimethoxyphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(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)	2.97	4.76	-5.05	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872583

Analogs

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Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(2,5-dimethoxyphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(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)	2.97	4.78	-5.1	1	3	0	39	248.322	4	↓ MOL2 SDF SMILES Flexibase

68872705

Analogs

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Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-[3-(trifluoromethyl)phenyl]methanol (R)-[(1R)-cyclohex-3-en-1-yl]-[3…

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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)	3.80	7.02	-4.29	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872709

Analogs

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Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-[3-(trifluoromethyl)phenyl]methanol (S)-[(1R)-cyclohex-3-en-1-yl]-[3…

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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)	3.80	6.91	-4.21	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872715

Analogs

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Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-[3-(trifluoromethyl)phenyl]methanol (R)-[(1S)-cyclohex-3-en-1-yl]-[3…

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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)	3.80	6.92	-4.28	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872720

Analogs

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Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-[3-(trifluoromethyl)phenyl]methanol (S)-[(1S)-cyclohex-3-en-1-yl]-[3…

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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)	3.80	7.06	-4.19	1	1	0	20	256.267	3	↓ MOL2 SDF SMILES Flexibase

68872726

Analogs

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Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-[2-(trifluoromethoxy)phenyl]methanol (R)-[(1R)-cyclohex-3-en-1-yl]-[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)	3.85	6.02	-4.05	1	2	0	29	272.266	4	↓ MOL2 SDF SMILES Flexibase

68872730

Analogs

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Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-[2-(trifluoromethoxy)phenyl]methanol (S)-[(1R)-cyclohex-3-en-1-yl]-[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)	3.85	5.97	-3.97	1	2	0	29	272.266	4	↓ MOL2 SDF SMILES Flexibase

68872734

Analogs

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Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-[2-(trifluoromethoxy)phenyl]methanol (R)-[(1S)-cyclohex-3-en-1-yl]-[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)	3.85	5.97	-3.98	1	2	0	29	272.266	4	↓ MOL2 SDF SMILES Flexibase

68872739

Analogs

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Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-[2-(trifluoromethoxy)phenyl]methanol (S)-[(1S)-cyclohex-3-en-1-yl]-[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)	3.85	5.99	-4.04	1	2	0	29	272.266	4	↓ MOL2 SDF SMILES Flexibase

68872741

Analogs

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Popular Name: (R)-[(1R)-cyclohex-3-en-1-yl]-(2-ethoxyphenyl)methanol (R)-[(1R)-cyclohex-3-en-1-yl]-(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)	3.31	6.45	-4.27	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872745

Analogs

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Popular Name: (S)-[(1R)-cyclohex-3-en-1-yl]-(2-ethoxyphenyl)methanol (S)-[(1R)-cyclohex-3-en-1-yl]-(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)	3.31	6.4	-3.92	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872754

Analogs

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Popular Name: (R)-[(1S)-cyclohex-3-en-1-yl]-(2-ethoxyphenyl)methanol (R)-[(1S)-cyclohex-3-en-1-yl]-(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)	3.31	6.39	-3.93	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872760

Analogs

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Popular Name: (S)-[(1S)-cyclohex-3-en-1-yl]-(2-ethoxyphenyl)methanol (S)-[(1S)-cyclohex-3-en-1-yl]-(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)	3.31	6.43	-4.19	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872836

Analogs

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Popular Name: (R)-(4-tert-butylphenyl)-[(1R)-cyclohex-3-en-1-yl]methanol (R)-(4-tert-butylphenyl)-[(1R)-c…

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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)	4.63	8.35	-2.65	1	1	0	20	244.378	3	↓ MOL2 SDF SMILES Flexibase

68872839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-tert-butylphenyl)-[(1R)-cyclohex-3-en-1-yl]methanol (S)-(4-tert-butylphenyl)-[(1R)-c…

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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)	4.63	8.23	-2.62	1	1	0	20	244.378	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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