ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

44828080

Analogs

34428948
34428949

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyano-N-[[(3R)-1-methyl-3-piperidyl]methyl]-3-phenyl-propanamide (2S)-2-cyano-N-[[(3R)-1-methyl-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)	2.18	8.41	-43.51	2	4	1	57	286.399	5	↓ MOL2 SDF SMILES Flexibase

44828081

Analogs

34428948
34428949

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyano-N-[[(3S)-1-methyl-3-piperidyl]methyl]-3-phenyl-propanamide (2S)-2-cyano-N-[[(3S)-1-methyl-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)	2.18	8.41	-42.56	2	4	1	57	286.399	5	↓ MOL2 SDF SMILES Flexibase

62036597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3-phenyl-propanamide N-[[(3S,6R)-6-methyl-3-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)	2.63	6.51	-46.5	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

62036598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3-phenyl-propanamide N-[[(3S,6S)-6-methyl-3-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)	2.63	6.79	-45.55	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

62036599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3-phenyl-propanamide N-[[(3R,6R)-6-methyl-3-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)	2.63	6.79	-45.56	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

62036600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3-phenyl-propanamide N-[[(3R,6S)-6-methyl-3-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)	2.63	6.51	-46.52	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

62036853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-N-[[(3S,6R)-6-methyl-3-piperidyl]methyl]propanamide 3-(4-methoxyphenyl)-N-[[(3S,6R)-…

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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	5.81	-48.29	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

62036854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-N-[[(3S,6S)-6-methyl-3-piperidyl]methyl]propanamide 3-(4-methoxyphenyl)-N-[[(3S,6S)-…

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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	6.09	-47.42	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

62036855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-N-[[(3R,6R)-6-methyl-3-piperidyl]methyl]propanamide 3-(4-methoxyphenyl)-N-[[(3R,6R)-…

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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)	2.69	6.09	-47.21	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

62036856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-N-[[(3R,6S)-6-methyl-3-piperidyl]methyl]propanamide 3-(4-methoxyphenyl)-N-[[(3R,6S)-…

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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	5.81	-48.11	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

62037101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3-(m-tolyl)propanamide N-[[(3R,6S)-6-methyl-3-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)	3.05	7.18	-44.38	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3-(m-tolyl)propanamide N-[[(3S,6S)-6-methyl-3-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)	3.05	7.46	-43.49	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3-(m-tolyl)propanamide N-[[(3R,6R)-6-methyl-3-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)	3.05	7.46	-43.53	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3-(m-tolyl)propanamide N-[[(3S,6R)-6-methyl-3-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)	3.05	7.18	-44.4	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3-(o-tolyl)propanamide N-[[(3R,6S)-6-methyl-3-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)	3.03	6.98	-44.35	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3-(o-tolyl)propanamide N-[[(3S,6S)-6-methyl-3-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)	3.03	7.26	-43.56	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3-(o-tolyl)propanamide N-[[(3R,6R)-6-methyl-3-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)	3.03	7.26	-43.5	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3-(o-tolyl)propanamide N-[[(3S,6R)-6-methyl-3-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)	3.03	6.98	-44.45	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-3-(p-tolyl)propanamide N-[[(3R,6S)-6-methyl-3-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)	3.08	7.19	-44.32	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-3-(p-tolyl)propanamide N-[[(3S,6S)-6-methyl-3-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)	3.08	7.47	-43.41	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-3-(p-tolyl)propanamide N-[[(3R,6R)-6-methyl-3-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)	3.08	7.47	-43.4	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

62037159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-3-(p-tolyl)propanamide N-[[(3S,6R)-6-methyl-3-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)	3.08	7.19	-44.28	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52945815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-piperidyl]methyl]-3-(p-tolyl)propanamide N-[[(3R)-3-piperidyl]methyl]-3-(…

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)	2.40	6.77	-45.21	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

52945816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-piperidyl]methyl]-3-(p-tolyl)propanamide N-[[(3S)-3-piperidyl]methyl]-3-(…

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)	2.40	6.77	-45.21	3	3	1	46	261.389	5	↓ MOL2 SDF SMILES Flexibase

52945821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3R)-3-piperidyl]ethyl]-3-(p-tolyl)propanamide N-[(1S)-1-[(3R)-3-piperidyl]ethy…

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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)	2.73	7.26	-45.34	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52945822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3R)-3-piperidyl]ethyl]-3-(p-tolyl)propanamide N-[(1R)-1-[(3R)-3-piperidyl]ethy…

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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)	2.73	7.53	-46.19	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52945823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3S)-3-piperidyl]ethyl]-3-(p-tolyl)propanamide N-[(1S)-1-[(3S)-3-piperidyl]ethy…

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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)	2.73	7.53	-46.19	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

52945824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(3S)-3-piperidyl]ethyl]-3-(p-tolyl)propanamide N-[(1R)-1-[(3S)-3-piperidyl]ethy…

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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)	2.73	7.26	-45.3	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

66641707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-isopropyl-3-piperidyl]methyl]-3-[2-(trifluoromethoxy)phenyl]propanamide N-[[(3R)-1-isopropyl-3-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)	4.14	9.36	-38.63	2	4	1	43	373.439	8	↓ MOL2 SDF SMILES Flexibase

66641708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-isopropyl-3-piperidyl]methyl]-3-[2-(trifluoromethoxy)phenyl]propanamide N-[[(3S)-1-isopropyl-3-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)	4.14	9.36	-38.81	2	4	1	43	373.439	8	↓ MOL2 SDF SMILES Flexibase

67974584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxyphenyl)-N-[[(3R)-1-methyl-3-piperidyl]methyl]propanamide 3-(3-methoxyphenyl)-N-[[(3R)-1-m…

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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)	2.58	7.62	-41.92	2	4	1	43	291.415	6	↓ MOL2 SDF SMILES Flexibase

67974585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-methoxyphenyl)-N-[[(3S)-1-methyl-3-piperidyl]methyl]propanamide 3-(3-methoxyphenyl)-N-[[(3S)-1-m…

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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)	2.58	7.62	-42.02	2	4	1	43	291.415	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11211
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 11211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11211&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "11211"        

    });
</script>

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Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations