ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

37092475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-4-(trifluoromethyl)cyclohexanamine N-[(1S)-1-(1-methyl-4-piperidyl)…

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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)	3.46	9.05	-101.89	3	2	2	21	294.405	4	↓ MOL2 SDF SMILES Flexibase

37092476

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-4-(trifluoromethyl)cyclohexanamine N-[(1R)-1-(1-methyl-4-piperidyl)…

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)	3.46	9.33	-96.49	3	2	2	21	294.405	4	↓ MOL2 SDF SMILES Flexibase

37092481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]-4-(trifluoromethyl)cyclohexanamine N-[(1R)-1-(1-ethyl-4-piperidyl)e…

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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)	3.83	9.64	-102.2	3	2	2	21	308.432	5	↓ MOL2 SDF SMILES Flexibase

37092482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]-4-(trifluoromethyl)cyclohexanamine N-[(1S)-1-(1-ethyl-4-piperidyl)e…

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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)	3.83	9.71	-102.34	3	2	2	21	308.432	5	↓ MOL2 SDF SMILES Flexibase

37099581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1S)-1-(1-methyl-4-pi…

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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)	3.93	9.33	-90.4	3	2	2	21	294.405	4	↓ MOL2 SDF SMILES Flexibase

37099582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1R)-1-(1-methyl-4-pi…

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)	3.93	9.4	-90.24	3	2	2	21	294.405	4	↓ MOL2 SDF SMILES Flexibase

37099583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1S)-1-(1-methyl-4-pi…

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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)	3.93	9.18	-92.34	3	2	2	21	294.405	4	↓ MOL2 SDF SMILES Flexibase

37099584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1R)-1-(1-methyl-4-pi…

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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)	3.93	9.14	-90.47	3	2	2	21	294.405	4	↓ MOL2 SDF SMILES Flexibase

37099589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1R)-1-(1-ethyl-4-pip…

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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)	4.30	10.16	-91.8	3	2	2	21	308.432	5	↓ MOL2 SDF SMILES Flexibase

37099590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1S)-1-(1-ethyl-4-pip…

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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)	4.30	9.99	-90.47	3	2	2	21	308.432	5	↓ MOL2 SDF SMILES Flexibase

37099591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1R)-1-(1-ethyl-4-pip…

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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)	4.30	9.79	-90.58	3	2	2	21	308.432	5	↓ MOL2 SDF SMILES Flexibase

37099592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1S)-1-(1-ethyl-4-pip…

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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)	4.30	9.84	-92.49	3	2	2	21	308.432	5	↓ MOL2 SDF SMILES Flexibase

54827636

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.46	7.79	-103.46	3	3	2	45	237.391	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.46	6.86	-37.09	2	3	1	40	236.383	3	↓ MOL2 SDF SMILES Flexibase

54827639

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.46	8.03	-99.22	3	3	2	45	237.391	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.46	7.13	-34.76	2	3	1	40	236.383	3	↓ MOL2 SDF SMILES Flexibase

54827644

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.46	8.03	-99.23	3	3	2	45	237.391	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.46	6.84	-33.77	2	3	1	40	236.383	3	↓ MOL2 SDF SMILES Flexibase

54827647

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.46	7.8	-105.96	3	3	2	45	237.391	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.46	6.83	-37.21	2	3	1	40	236.383	3	↓ MOL2 SDF SMILES Flexibase

54827671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(1-ethyl-4-piperidyl)methylamino]cyclohexanecarbonitrile (1S,2R)-2-[(1-ethyl-4-piperidyl)…

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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)	2.83	8.46	-103.67	3	3	2	45	251.418	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	7.52	-36	2	3	1	40	250.41	4	↓ MOL2 SDF SMILES Flexibase

54827673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(1-ethyl-4-piperidyl)methylamino]cyclohexanecarbonitrile (1S,2S)-2-[(1-ethyl-4-piperidyl)…

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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)	2.83	8.68	-101.6	3	3	2	45	251.418	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	7.68	-36.71	2	3	1	40	250.41	4	↓ MOL2 SDF SMILES Flexibase

54827677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(1-ethyl-4-piperidyl)methylamino]cyclohexanecarbonitrile (1R,2R)-2-[(1-ethyl-4-piperidyl)…

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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)	2.83	8.69	-99.51	3	3	2	45	251.418	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	7.51	-32.65	2	3	1	40	250.41	4	↓ MOL2 SDF SMILES Flexibase

54827679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(1-ethyl-4-piperidyl)methylamino]cyclohexanecarbonitrile (1R,2S)-2-[(1-ethyl-4-piperidyl)…

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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)	2.83	8.47	-103.67	3	3	2	45	251.418	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	7.38	-35.48	2	3	1	40	250.41	4	↓ MOL2 SDF SMILES Flexibase

62841646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine N-methyl-N-[(4-methyl-4-piperidy…

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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)	2.70	7.65	-93.66	3	2	2	21	226.408	3	↓ MOL2 SDF SMILES Flexibase

62841649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine N-ethyl-N-[(4-methyl-4-piperidyl…

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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)	3.08	7.95	-92.93	3	2	2	21	240.435	4	↓ MOL2 SDF SMILES Flexibase

62841747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine N-[(4-methyl-4-piperidyl)methyl]…

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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)	2.46	5.98	-96.87	4	2	2	33	212.381	3	↓ MOL2 SDF SMILES Flexibase

62841807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine N,4-dimethyl-N-[(4-methyl-4-pipe…

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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)	2.47	8.22	-94.64	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N,3-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1S,3R)-N,3-dimethyl-N-[(4-methy…

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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)	2.71	8.1	-93.72	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N,3-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1S,3S)-N,3-dimethyl-N-[(4-methy…

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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)	2.71	7.87	-93.67	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N,3-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1R,3R)-N,3-dimethyl-N-[(4-methy…

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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)	2.71	7.89	-93.65	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N,3-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1R,3S)-N,3-dimethyl-N-[(4-methy…

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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)	2.71	8.22	-94.73	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine 4-ethyl-N-methyl-N-[(4-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)	3.16	8.62	-95.61	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

62841866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N,2-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1S,2R)-N,2-dimethyl-N-[(4-methy…

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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)	2.94	8.08	-94.19	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N,2-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1S,2S)-N,2-dimethyl-N-[(4-methy…

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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)	2.94	7.89	-93.9	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N,2-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1R,2R)-N,2-dimethyl-N-[(4-methy…

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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)	2.94	7.96	-93.52	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N,2-dimethyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine (1R,2S)-N,2-dimethyl-N-[(4-methy…

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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)	2.94	7.98	-93.18	3	2	2	21	240.435	3	↓ MOL2 SDF SMILES Flexibase

62841909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(4-methyl-4-piperidyl)methyl]cyclohexanamine 1-methyl-N-[(4-methyl-4-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)	2.90	6.15	-95.88	4	2	2	33	226.408	3	↓ MOL2 SDF SMILES Flexibase

62850570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethyl-4-piperidyl)methyl]-N-methyl-cyclohexanamine N-[(4-ethyl-4-piperidyl)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)	3.03	7.97	-98.57	3	2	2	21	240.435	4	↓ MOL2 SDF SMILES Flexibase

62850571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine N-methyl-N-[(4-propyl-4-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)	3.59	8.73	-100.02	3	2	2	21	254.462	5	↓ MOL2 SDF SMILES Flexibase

62850576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(4-ethyl-4-piperidyl)methyl]cyclohexanamine N-ethyl-N-[(4-ethyl-4-piperidyl)…

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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)	3.41	8.21	-93.11	3	2	2	21	254.462	5	↓ MOL2 SDF SMILES Flexibase

62850577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine N-ethyl-N-[(4-propyl-4-piperidyl…

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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)	3.97	9.08	-99.69	3	2	2	21	268.489	6	↓ MOL2 SDF SMILES Flexibase

62850762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethyl-4-piperidyl)methyl]cyclohexanamine N-[(4-ethyl-4-piperidyl)methyl]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)	2.79	6.42	-98.2	4	2	2	33	226.408	4	↓ MOL2 SDF SMILES Flexibase

62850763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine N-[(4-propyl-4-piperidyl)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)	3.35	7.17	-100.06	4	2	2	33	240.435	5	↓ MOL2 SDF SMILES Flexibase

62850879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethyl-4-piperidyl)methyl]-N,4-dimethyl-cyclohexanamine N-[(4-ethyl-4-piperidyl)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)	2.81	8.58	-99.66	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

62850880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,4-dimethyl-N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine N,4-dimethyl-N-[(4-propyl-4-pipe…

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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)	3.37	9.33	-101.21	3	2	2	21	268.489	5	↓ MOL2 SDF SMILES Flexibase

62850899

Analogs

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Popular Name: (1R,3S)-N-[(4-ethyl-4-piperidyl)methyl]-N,3-dimethyl-cyclohexanamine (1R,3S)-N-[(4-ethyl-4-piperidyl)…

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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)	3.04	8.58	-99.63	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

62850900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[(4-ethyl-4-piperidyl)methyl]-N,3-dimethyl-cyclohexanamine (1S,3S)-N-[(4-ethyl-4-piperidyl)…

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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)	3.04	8.35	-99.64	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

62850901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N,3-dimethyl-N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine (1R,3S)-N,3-dimethyl-N-[(4-propy…

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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)	3.60	9.37	-103.98	3	2	2	21	268.489	5	↓ MOL2 SDF SMILES Flexibase

62850902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N,3-dimethyl-N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine (1S,3S)-N,3-dimethyl-N-[(4-propy…

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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)	3.60	9.14	-103.97	3	2	2	21	268.489	5	↓ MOL2 SDF SMILES Flexibase

62850909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(4-ethyl-4-piperidyl)methyl]-N-methyl-cyclohexanamine 4-ethyl-N-[(4-ethyl-4-piperidyl)…

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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)	3.49	8.97	-101.05	3	2	2	21	268.489	5	↓ MOL2 SDF SMILES Flexibase

62850910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-methyl-N-[(4-propyl-4-piperidyl)methyl]cyclohexanamine 4-ethyl-N-methyl-N-[(4-propyl-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)	4.05	9.75	-102.65	3	2	2	21	282.516	6	↓ MOL2 SDF SMILES Flexibase

62850993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(4-ethyl-4-piperidyl)methyl]-N,2-dimethyl-cyclohexanamine (1R,2S)-N-[(4-ethyl-4-piperidyl)…

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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)	3.27	8.49	-101.12	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

62850994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(4-ethyl-4-piperidyl)methyl]-N,2-dimethyl-cyclohexanamine (1S,2S)-N-[(4-ethyl-4-piperidyl)…

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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)	3.27	8.18	-96.91	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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