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ZINC Item

Suppliers, Protomers, & Similar Substances

52333974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-cyclohexylethyl]-2-methoxy-cyclohexanamine (1S,2S)-N-[(1R)-1-cyclohexylethy…

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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)	4.09	7.77	-32.65	2	2	1	26	240.411	4	↓ MOL2 SDF SMILES Flexibase

52333971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-cyclohexylethyl]-2-methoxy-cyclohexanamine (1S,2S)-N-[(1S)-1-cyclohexylethy…

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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)	4.09	7.39	-32.87	2	2	1	26	240.411	4	↓ MOL2 SDF SMILES Flexibase

52333968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-1-cyclohexylethyl]-2-methoxy-cyclohexanamine (1R,2S)-N-[(1R)-1-cyclohexylethy…

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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)	4.09	7.47	-33.84	2	2	1	26	240.411	4	↓ MOL2 SDF SMILES Flexibase

52333965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-1-cyclohexylethyl]-2-methoxy-cyclohexanamine (1R,2S)-N-[(1S)-1-cyclohexylethy…

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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)	4.09	7.61	-33.58	2	2	1	26	240.411	4	↓ MOL2 SDF SMILES Flexibase

53885509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1S,3R)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1S,3R)-3-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)	3.39	7.31	-32.69	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53885511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1S,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1S,3S)-3-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)	3.39	7.07	-32.58	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53885513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1R,3R)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1R,3R)-3-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)	3.39	7.09	-33.06	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53885515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1R,3S)-3-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)	3.39	7.32	-33.14	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53885517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[(1S,3R)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-[…

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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)	3.40	7.94	-33.44	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53885519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[(1S,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-[…

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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)	3.40	7.71	-33.32	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53885521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[(1R,3R)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-[…

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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)	3.40	7.67	-32.94	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53885523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-[…

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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)	3.40	7.93	-33.51	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53885525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-ethyl-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[methyl-[(…

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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	8.56	-33.21	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53885527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[methyl-[(…

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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	8.15	-31.84	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53885528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[methyl-[(…

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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	9.03	-29.16	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53885530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[methyl-[(1R,3S)-3-methylcyclohexyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[methyl-[(…

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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	8.22	-35.6	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1S,2S)-2-[[cyclohexyl(2-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	4.14	-30.44	3	3	1	45	256.41	5	↓ MOL2 SDF SMILES Flexibase

53923378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]cyclohexanol (1S,2R)-2-[[cyclohexyl(2-hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	3.75	-29.12	3	3	1	45	256.41	5	↓ MOL2 SDF SMILES Flexibase

53923379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[cyclohexyl(2-hydr…

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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)	2.76	4.13	-30.97	3	3	1	45	270.437	5	↓ MOL2 SDF SMILES Flexibase

53923380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[cyclohexyl(2-hydr…

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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)	2.76	4.26	-30.89	3	3	1	45	270.437	5	↓ MOL2 SDF SMILES Flexibase

53923381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[[cyclohexyl(2-hydr…

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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)	2.76	6.07	-28.53	3	3	1	45	270.437	5	↓ MOL2 SDF SMILES Flexibase

53923382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[[cyclohexyl(2-hydr…

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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)	2.76	4.68	-27.77	3	3	1	45	270.437	5	↓ MOL2 SDF SMILES Flexibase

53923383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[[cyclohexyl(2-hydr…

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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	5.14	-30.87	3	3	1	45	284.464	6	↓ MOL2 SDF SMILES Flexibase

53923384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[[cyclohexyl(2-hydr…

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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	5.27	-27.43	3	3	1	45	284.464	6	↓ MOL2 SDF SMILES Flexibase

53923385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[[cyclohexyl(2-hydr…

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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	6.72	-28.73	3	3	1	45	284.464	6	↓ MOL2 SDF SMILES Flexibase

53923386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[[cyclohexyl(2-hydr…

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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	4.29	-32.66	3	3	1	45	284.464	6	↓ MOL2 SDF SMILES Flexibase

53923387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[cyclohexyl(2-hydr…

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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)	4.00	5.9	-30.82	3	3	1	45	298.491	7	↓ MOL2 SDF SMILES Flexibase

53923388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[cyclohexyl(2-hydr…

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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)	4.00	7.06	-28.06	3	3	1	45	298.491	7	↓ MOL2 SDF SMILES Flexibase

53923389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[cyclohexyl(2-hydr…

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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)	4.00	7.48	-28.79	3	3	1	45	298.491	7	↓ MOL2 SDF SMILES Flexibase

53923390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[cyclohexyl(2-hydr…

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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)	4.00	5.55	-33.45	3	3	1	45	298.491	7	↓ MOL2 SDF SMILES Flexibase

53923635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1S,2R)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1S,2R)-2-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)	3.63	7.16	-31.78	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53923636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1S,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1S,2S)-2-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)	3.63	7.13	-31.56	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53923637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1R,2R)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1R,2R)-2-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)	3.63	7.12	-31.01	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53923638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(1R,2S)-2-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)	3.63	7.17	-32.06	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53923639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-[…

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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)	3.63	7.78	-32.41	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53923640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-methyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-methyl-2-[[methyl-[…

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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)	3.63	7.56	-32.52	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53923641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-methyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-methyl-2-[[methyl-[…

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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)	3.63	7.62	-31.1	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53923642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-methyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-methyl-2-[[methyl-[…

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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)	3.63	8.04	-28.23	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53923643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-ethyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[methyl-[(…

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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	8.45	-32.41	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[methyl-[(…

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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	-30.6	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[methyl-[(…

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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	8.93	-28.4	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[methyl-[(1R,2S)-2-methylcyclohexyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[methyl-[(…

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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	8.06	-34.48	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-(4-methylcycl…

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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)	3.16	7.32	-33.13	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53923988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1S,2R)-2-[[methyl-(4-methylcycl…

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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)	3.16	6.97	-31.84	2	2	1	25	240.411	3	↓ MOL2 SDF SMILES Flexibase

53923989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl-(…

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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)	3.17	7.9	-33.08	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53923990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-methyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1S,2R,4R)-4-methyl-2-[[methyl-(…

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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)	3.17	7.56	-32.03	2	2	1	25	254.438	3	↓ MOL2 SDF SMILES Flexibase

53923991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[methyl-(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)	3.85	8.38	-33.59	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[methyl-(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)	3.85	8.73	-28.71	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[methyl-(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)	3.85	8.2	-32.67	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

53923994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[methyl-(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)	3.85	8.22	-36.05	2	2	1	25	268.465	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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