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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

626

Analogs

204584
39102423
39102424
39110556
39110558

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(Piperidylmethyl)-1-cyclohexanone hydrochloride 2-(Piperidylmethyl)-1-cyclohexan…

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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)	2.20	7.83	-34.69	1	2	1	22	196.314	2	↓ MOL2 SDF SMILES Flexibase

53924591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[4-(hydroxymethyl)-1-…

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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)	1.44	5.68	-38.83	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2S,4S)-2-[[4-(hydroxymethyl)-1-…

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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)	1.44	5.47	-38.87	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2R,4R)-2-[[4-(hydroxymethyl)-1-…

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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)	1.44	5.47	-38.43	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2R,4S)-2-[[4-(hydroxymethyl)-1-…

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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)	1.44	5.69	-38.86	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[4-(hydroxyme…

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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)	2.13	6.51	-34.05	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924596

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[4-(hydroxyme…

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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)	2.13	6.11	-40.13	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[4-(hydroxyme…

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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)	2.13	6.11	-40.1	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[4-(hydroxyme…

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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)	2.13	6.51	-34.03	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[4-(hydroxymethyl)-1-…

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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)	2.69	7.08	-39.53	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[4-(hydroxymethyl)-1-…

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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)	2.69	6.86	-39.64	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[4-(hydroxymethyl)-1-…

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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)	2.69	6.86	-39.62	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[4-(hydroxymethyl)-1-…

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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)	2.69	7.26	-34.24	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[4-(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)	2.77	7.26	-34.73	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4S)-4-tert-butyl-2-[[4-(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)	2.77	6.88	-40.82	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-tert-butyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4R)-4-tert-butyl-2-[[4-(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)	2.77	6.88	-40.86	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4S)-4-tert-butyl-2-[[4-(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)	2.77	7.08	-40.14	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[(3S)-3-(hydroxymethy…

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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)	1.44	5.66	-38.75	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2S,4S)-2-[[(3S)-3-(hydroxymethy…

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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)	1.44	5.44	-40.93	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2R,4R)-2-[[(3S)-3-(hydroxymethy…

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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)	1.44	5.62	-34.66	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-methyl-cyclohexanone (2R,4S)-2-[[(3S)-3-(hydroxymethy…

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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)	1.44	5.84	-35.05	2	3	1	42	240.367	3	↓ MOL2 SDF SMILES Flexibase

53924617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-ethyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-ethyl-2-[[(3S)-3-(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)	2.13	6.3	-39.2	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-ethyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[(3S)-3-(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)	2.13	6.08	-41.28	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-ethyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(3S)-3-(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)	2.13	6.08	-41.34	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-ethyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4S)-4-ethyl-2-[[(3S)-3-(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)	2.13	6.48	-35.48	2	3	1	42	254.394	4	↓ MOL2 SDF SMILES Flexibase

53924621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(3S)-3-(hydroxymethy…

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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)	2.69	7.06	-39.44	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[(3S)-3-(hydroxymethy…

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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)	2.69	6.84	-41.7	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[(3S)-3-(hydroxymethy…

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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)	2.69	6.84	-41.67	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[(3S)-3-(hydroxymethy…

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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)	2.69	7.24	-35.62	2	3	1	42	268.421	5	↓ MOL2 SDF SMILES Flexibase

53924625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(3S)-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)	2.77	7.05	-40.05	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-4-tert-butyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2S,4S)-4-tert-butyl-2-[[(3S)-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)	2.77	6.85	-42.05	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-tert-butyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4R)-4-tert-butyl-2-[[(3S)-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)	2.77	6.85	-42.11	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-tert-butyl-2-[[(3S)-3-(hydroxymethyl)-1-piperidyl]methyl]cyclohexanone (2R,4S)-4-tert-butyl-2-[[(3S)-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)	2.77	7.24	-36.08	2	3	1	42	282.448	4	↓ MOL2 SDF SMILES Flexibase

53924700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-methyl-cyclohexanone (2S,4R)-2-[[(3S,5R)-3,5-dimethyl…

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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)	2.93	9.56	-35.87	1	2	1	22	238.395	2	↓ MOL2 SDF SMILES Flexibase

53924701

Analogs

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Popular Name: (2S,4S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-methyl-cyclohexanone (2S,4S)-2-[[(3S,5R)-3,5-dimethyl…

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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)	2.93	9.35	-37.08	1	2	1	22	238.395	2	↓ MOL2 SDF SMILES Flexibase

53924704

Analogs

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Popular Name: (2R,4R)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-methyl-cyclohexanone (2R,4R)-2-[[(3S,5R)-3,5-dimethyl…

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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)	2.93	9.53	-30.71	1	2	1	22	238.395	2	↓ MOL2 SDF SMILES Flexibase

53924706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-methyl-cyclohexanone (2R,4S)-2-[[(3S,5R)-3,5-dimethyl…

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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)	2.93	9.75	-31.22	1	2	1	22	238.395	2	↓ MOL2 SDF SMILES Flexibase

53924708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-ethyl-cyclohexanone (2S,4R)-2-[[(3S,5R)-3,5-dimethyl…

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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)	3.61	10.2	-36.35	1	2	1	22	252.422	3	↓ MOL2 SDF SMILES Flexibase

53924709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-ethyl-cyclohexanone (2S,4S)-2-[[(3S,5R)-3,5-dimethyl…

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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)	3.61	9.99	-37.35	1	2	1	22	252.422	3	↓ MOL2 SDF SMILES Flexibase

53924712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-ethyl-cyclohexanone (2R,4R)-2-[[(3S,5R)-3,5-dimethyl…

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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)	3.61	9.99	-37.37	1	2	1	22	252.422	3	↓ MOL2 SDF SMILES Flexibase

53924714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-ethyl-cyclohexanone (2R,4S)-2-[[(3S,5R)-3,5-dimethyl…

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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)	3.61	10.39	-31.46	1	2	1	22	252.422	3	↓ MOL2 SDF SMILES Flexibase

53924715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-propyl-cyclohexanone (2S,4R)-2-[[(3S,5R)-3,5-dimethyl…

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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	10.96	-36.63	1	2	1	22	266.449	4	↓ MOL2 SDF SMILES Flexibase

53924718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-propyl-cyclohexanone (2S,4S)-2-[[(3S,5R)-3,5-dimethyl…

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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	10.75	-37.74	1	2	1	22	266.449	4	↓ MOL2 SDF SMILES Flexibase

53924719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[(3S,5R)-3,5-dimethyl…

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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	10.74	-37.76	1	2	1	22	266.449	4	↓ MOL2 SDF SMILES Flexibase

53924721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-4-propyl-cyclohexanone (2R,4S)-2-[[(3S,5R)-3,5-dimethyl…

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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	11.14	-31.64	1	2	1	22	266.449	4	↓ MOL2 SDF SMILES Flexibase

53924723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(3S,5R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	10.95	-37.18	1	2	1	22	280.476	3	↓ MOL2 SDF SMILES Flexibase

53924726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(3S,5S)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	10.96	-36.12	1	2	1	22	280.476	3	↓ MOL2 SDF SMILES Flexibase

53924728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-tert-butyl-2-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]cyclohexanone (2S,4R)-4-tert-butyl-2-[[(3R,5R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.25	10.96	-36.04	1	2	1	22	280.476	3	↓ MOL2 SDF SMILES Flexibase

53924742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[(4-hydroxy-1-piperidyl)methyl]-4-methyl-cyclohexanone (2S,4R)-2-[(4-hydroxy-1-piperidy…

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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)	0.33	5.03	-38.83	2	3	1	42	226.34	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.33	3.02	-5.55	1	3	0	41	225.332	2	↓ MOL2 SDF SMILES Flexibase

53924743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[(4-hydroxy-1-piperidyl)methyl]-4-methyl-cyclohexanone (2S,4S)-2-[(4-hydroxy-1-piperidy…

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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)	0.33	4.82	-41.1	2	3	1	42	226.34	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.33	2.8	-8.12	1	3	0	41	225.332	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
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