ZINC 12

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ZINC Item

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68872390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,5-difluorophenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	3.53	7.05	-3.5	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,5-difluorophenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	3.53	6.66	-4.1	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,5-difluorophenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	3.53	6.82	-3.57	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,5-difluorophenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	3.53	6.86	-4.03	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(4-ethylphenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.19	8.25	-3.42	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(4-ethylphenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.19	8.02	-3.54	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(4-ethylphenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.19	8.02	-3.55	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(4-ethylphenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.19	8.24	-3.43	1	1	0	20	230.351	4	↓ MOL2 SDF SMILES Flexibase

68872608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2-methoxyphenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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	-3.95	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2-methoxyphenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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	5.93	-4.76	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2-methoxyphenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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	6.84	-4.02	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2-methoxyphenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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	6.13	-4.77	1	2	0	29	232.323	4	↓ MOL2 SDF SMILES Flexibase

68872630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromo-4-methoxy-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1S)-2-(3-bromo-4-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)	4.07	6.77	-6.09	1	2	0	29	311.219	4	↓ MOL2 SDF SMILES Flexibase

68872635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromo-4-methoxy-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1R)-2-(3-bromo-4-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)	4.07	6.54	-6.18	1	2	0	29	311.219	4	↓ MOL2 SDF SMILES Flexibase

68872641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromo-4-methoxy-phenyl)-1-[(1S)-cyclohex-3-en-1-yl]ethanol (1S)-2-(3-bromo-4-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)	4.07	6.54	-6.18	1	2	0	29	311.219	4	↓ MOL2 SDF SMILES Flexibase

68872646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromo-4-methoxy-phenyl)-1-[(1S)-cyclohex-3-en-1-yl]ethanol (1R)-2-(3-bromo-4-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)	4.07	6.76	-6.08	1	2	0	29	311.219	4	↓ MOL2 SDF SMILES Flexibase

68872649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromo-4-fluoro-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1S)-2-(3-bromo-4-fluoro-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)	4.17	7.46	-5.6	1	1	0	20	299.183	3	↓ MOL2 SDF SMILES Flexibase

68872653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromo-4-fluoro-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1R)-2-(3-bromo-4-fluoro-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)	4.17	7.22	-5.67	1	1	0	20	299.183	3	↓ MOL2 SDF SMILES Flexibase

68872660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(3-bromo-4-fluoro-phenyl)-1-[(1S)-cyclohex-3-en-1-yl]ethanol (1S)-2-(3-bromo-4-fluoro-phenyl)…

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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)	4.17	7.23	-5.64	1	1	0	20	299.183	3	↓ MOL2 SDF SMILES Flexibase

68872663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(3-bromo-4-fluoro-phenyl)-1-[(1S)-cyclohex-3-en-1-yl]ethanol (1R)-2-(3-bromo-4-fluoro-phenyl)…

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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)	4.17	7.45	-5.56	1	1	0	20	299.183	3	↓ MOL2 SDF SMILES Flexibase

68872690

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.70	7.75	-3.95	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872694

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.70	6.6	-4.72	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872700

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.70	7.5	-4.08	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872702

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.70	6.8	-4.77	1	2	0	29	246.35	4	↓ MOL2 SDF SMILES Flexibase

68872765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,5-dimethylphenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.10	8.42	-3.64	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,5-dimethylphenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.10	7.76	-3.96	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,5-dimethylphenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.10	8.18	-3.73	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,5-dimethylphenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.10	7.96	-3.79	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,4,6-trimethylphenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.47	8.83	-3.98	1	1	0	20	244.378	3	↓ MOL2 SDF SMILES Flexibase

68872825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,4,6-trimethylphenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.47	8.59	-4.02	1	1	0	20	244.378	3	↓ MOL2 SDF SMILES Flexibase

68872827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,4,6-trimethylphenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.47	8.59	-4.04	1	1	0	20	244.378	3	↓ MOL2 SDF SMILES Flexibase

68872833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,4,6-trimethylphenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.47	8.8	-3.96	1	1	0	20	244.378	3	↓ MOL2 SDF SMILES Flexibase

68872931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,4-difluorophenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	3.53	6.88	-5.1	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(2,4-difluorophenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	3.53	6.91	-4.56	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872938

Analogs

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Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,4-difluorophenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	3.53	6.67	-5.13	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(2,4-difluorophenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	3.53	7.11	-4.39	1	1	0	20	238.277	3	↓ MOL2 SDF SMILES Flexibase

68872990

Analogs

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Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(3,5-dimethylphenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.10	8.13	-3.74	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(3,5-dimethylphenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.10	7.9	-3.79	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(3,5-dimethylphenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.10	7.9	-3.77	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68872999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(3,5-dimethylphenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.10	8.12	-3.67	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68873013

Analogs

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Popular Name: (1S)-2-(2-chloro-6-fluoro-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1S)-2-(2-chloro-6-fluoro-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)	4.02	7.33	-3.34	1	1	0	20	254.732	3	↓ MOL2 SDF SMILES Flexibase

68873017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-chloro-6-fluoro-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1R)-2-(2-chloro-6-fluoro-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)	4.02	7.27	-3.22	1	1	0	20	254.732	3	↓ MOL2 SDF SMILES Flexibase

68873020

Analogs

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Popular Name: (1S)-2-(2-chloro-6-fluoro-phenyl)-1-[(1S)-cyclohex-3-en-1-yl]ethanol (1S)-2-(2-chloro-6-fluoro-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)	4.02	7.11	-3.34	1	1	0	20	254.732	3	↓ MOL2 SDF SMILES Flexibase

68873023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-chloro-6-fluoro-phenyl)-1-[(1S)-cyclohex-3-en-1-yl]ethanol (1R)-2-(2-chloro-6-fluoro-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)	4.02	7.49	-3.18	1	1	0	20	254.732	3	↓ MOL2 SDF SMILES Flexibase

68873026

Analogs

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Popular Name: (1S)-1-[(1R)-cyclohex-3-en-1-yl]-2-(3,4-dimethylphenyl)ethanol (1S)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.10	8.03	-3.81	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68873030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1R)-cyclohex-3-en-1-yl]-2-(3,4-dimethylphenyl)ethanol (1R)-1-[(1R)-cyclohex-3-en-1-yl]…

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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)	4.10	7.8	-3.84	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68873035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[(1S)-cyclohex-3-en-1-yl]-2-(3,4-dimethylphenyl)ethanol (1S)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.10	7.8	-3.87	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68873040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[(1S)-cyclohex-3-en-1-yl]-2-(3,4-dimethylphenyl)ethanol (1R)-1-[(1S)-cyclohex-3-en-1-yl]…

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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)	4.10	8.02	-3.7	1	1	0	20	230.351	3	↓ MOL2 SDF SMILES Flexibase

68873044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(5-bromo-2-methoxy-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1S)-2-(5-bromo-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)	4.07	7.7	-3.67	1	2	0	29	311.219	4	↓ MOL2 SDF SMILES Flexibase

68873051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(5-bromo-2-methoxy-phenyl)-1-[(1R)-cyclohex-3-en-1-yl]ethanol (1R)-2-(5-bromo-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)	4.07	6.55	-4.35	1	2	0	29	311.219	4	↓ MOL2 SDF SMILES Flexibase

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