ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

50446649

Analogs

43075885
43075888

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxamide (3S)-N-cyclopropyl-1-[3-(2,2-dim…

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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)	1.32	4.67	-19.3	2	6	0	79	323.437	6	↓ MOL2 SDF SMILES Flexibase

50446650

Analogs

43075885
43075888

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxamide (3R)-N-cyclopropyl-1-[3-(2,2-dim…

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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)	1.32	4.68	-19.3	2	6	0	79	323.437	6	↓ MOL2 SDF SMILES Flexibase

36129483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-(2-hydroxyethyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (3S)-N-cyclopropyl-N-(2-hydroxye…

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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)	0.64	4.18	-13.4	1	5	0	61	282.384	5	↓ MOL2 SDF SMILES Flexibase

36129484

Analogs

37814695
37814696
37814697
37814698
37824900

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-(2-hydroxyethyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide (3R)-N-cyclopropyl-N-(2-hydroxye…

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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)	0.64	4.06	-14.67	1	5	0	61	282.384	5	↓ MOL2 SDF SMILES Flexibase

36130305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-(2-hydroxyethyl)-1-methylsulfonyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.42	0.51	-16.18	1	6	0	78	290.385	5	↓ MOL2 SDF SMILES Flexibase

36130306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-(2-hydroxyethyl)-1-methylsulfonyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.42	0.39	-13.23	1	6	0	78	290.385	5	↓ MOL2 SDF SMILES Flexibase

36130365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N3-cyclopropyl-N3-(2-hydroxyethyl)piperidine-1,3-dicarboxamide (3S)-N3-cyclopropyl-N3-(2-hydrox…

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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)	-0.52	0.23	-10.7	3	6	0	87	255.318	4	↓ MOL2 SDF SMILES Flexibase

36130366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-cyclopropyl-N3-(2-hydroxyethyl)piperidine-1,3-dicarboxamide (3R)-N3-cyclopropyl-N3-(2-hydrox…

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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)	-0.52	0.34	-11.76	3	6	0	87	255.318	4	↓ MOL2 SDF SMILES Flexibase

36130611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N3-cyclopropyl-N3-(2-hydroxyethyl)-N1,N1-dimethyl-piperidine-1,3-dicarboxamide (3S)-N3-cyclopropyl-N3-(2-hydrox…

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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)	-0.29	3.11	-10.94	1	6	0	64	283.372	4	↓ MOL2 SDF SMILES Flexibase

36130613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N3-cyclopropyl-N3-(2-hydroxyethyl)-N1,N1-dimethyl-piperidine-1,3-dicarboxamide (3R)-N3-cyclopropyl-N3-(2-hydrox…

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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)	-0.29	3.36	-10.56	1	6	0	64	283.372	4	↓ MOL2 SDF SMILES Flexibase

36130685

Analogs

37814600
37814601
37814695
37814696
37814697

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-acetyl-N-cyclopropyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3S)-1-acetyl-N-cyclopropyl-N-(2…

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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)	-0.44	2.74	-10.26	1	5	0	61	254.33	4	↓ MOL2 SDF SMILES Flexibase

36130687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-acetyl-N-cyclopropyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3R)-1-acetyl-N-cyclopropyl-N-(2…

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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)	-0.44	2.91	-10.81	1	5	0	61	254.33	4	↓ MOL2 SDF SMILES Flexibase

36136810

Analogs

37812354
37812355
37814600
37814601
37814695

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3S)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.39	1.56	-47.75	3	4	1	57	213.301	4	↓ MOL2 SDF SMILES Flexibase

36136813

Analogs

37812354
37812355
37814600
37814601
37814695

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3R)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.39	1.73	-47.11	3	4	1	57	213.301	4	↓ MOL2 SDF SMILES Flexibase

37080105

Analogs

14962618
14962622
15064845

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-ethyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-ethyl-piper…

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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)	0.61	4.65	-42.77	2	3	1	37	197.302	3	↓ MOL2 SDF SMILES Flexibase

37080106

Analogs

37806685
37806686
14962618
14962622
15064845

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-ethyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-ethyl-piper…

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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)	0.61	4.62	-41.54	2	3	1	37	197.302	3	↓ MOL2 SDF SMILES Flexibase

37081223

Analogs

37806685
37806686
14962618
14962622
15064845

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-methyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-methyl-pipe…

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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)	0.24	3.66	-42.3	2	3	1	37	183.275	2	↓ MOL2 SDF SMILES Flexibase

37081224

Analogs

37806685
37806686
14962618
14962622
15064845

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-methyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-methyl-pipe…

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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)	0.24	3.71	-42.25	2	3	1	37	183.275	2	↓ MOL2 SDF SMILES Flexibase

37097423

Analogs

37806685
37806686
14962618
14962622
15064845

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-propyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-propyl-pipe…

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)	1.12	5.54	-41.52	2	3	1	37	211.329	4	↓ MOL2 SDF SMILES Flexibase

37097424

Analogs

37806685
37806686
14962618
14962622
15064845

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-propyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-propyl-pipe…

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)	1.12	5.45	-42.13	2	3	1	37	211.329	4	↓ MOL2 SDF SMILES Flexibase

54857770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-1-propanoyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-1-propanoyl-p…

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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)	0.79	4.31	-10.15	1	4	0	49	224.304	3	↓ MOL2 SDF SMILES Flexibase

54857771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-1-propanoyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-1-propanoyl-p…

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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)	0.79	4.32	-10.16	1	4	0	49	224.304	3	↓ MOL2 SDF SMILES Flexibase

61476547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-acetyl-N-cyclopropyl-piperidine-3-carboxamide (3R)-1-acetyl-N-cyclopropyl-pipe…

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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)	-0.05	3.54	-10.53	1	4	0	49	210.277	2	↓ MOL2 SDF SMILES Flexibase

62851723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-ethyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-3-ethyl-piper…

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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)	0.90	3.38	-33.8	3	3	1	46	197.302	3	↓ MOL2 SDF SMILES Flexibase

62851724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-ethyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-3-ethyl-piper…

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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)	0.90	3.43	-33.69	3	3	1	46	197.302	3	↓ MOL2 SDF SMILES Flexibase

62851725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-methyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-3-methyl-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)	0.57	2.99	-32.81	3	3	1	46	183.275	2	↓ MOL2 SDF SMILES Flexibase

62851726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-3-methyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-3-methyl-pipe…

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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)	0.57	2.99	-32.79	3	3	1	46	183.275	2	↓ MOL2 SDF SMILES Flexibase

62851727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-3-propyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-3-propyl-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)	1.46	4.14	-34.22	3	3	1	46	211.329	4	↓ MOL2 SDF SMILES Flexibase

62851728

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-propyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-3-propyl-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)	1.46	4.19	-34.13	3	3	1	46	211.329	4	↓ MOL2 SDF SMILES Flexibase

62853372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N,3-diethyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N,3-diethyl-p…

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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)	1.19	5.51	-42.64	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N,3-diethyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N,3-diethyl-p…

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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)	1.19	5.09	-42.23	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-ethyl-3-methyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-ethyl-3-met…

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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)	0.86	4.82	-32.81	2	3	1	37	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-ethyl-3-methyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-ethyl-3-met…

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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)	0.86	4.8	-33.17	2	3	1	37	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853378

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-3-ethyl-N-met…

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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)	0.82	4.46	-44.44	2	3	1	37	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853379

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-3-ethyl-N-met…

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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)	0.82	4.59	-41.97	2	3	1	37	211.329	3	↓ MOL2 SDF SMILES Flexibase

62853380

Analogs

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Popular Name: (3S)-N-cyclopropyl-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N,3-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)	0.48	4	-33.13	2	3	1	37	197.302	2	↓ MOL2 SDF SMILES Flexibase

62853381

Analogs

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Popular Name: (3R)-N-cyclopropyl-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N,3-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)	0.48	4	-33.31	2	3	1	37	197.302	2	↓ MOL2 SDF SMILES Flexibase

62853382

Analogs

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Popular Name: (3S)-N-cyclopropyl-N-methyl-3-propyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-methyl-3-pr…

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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)	1.38	5.23	-44.68	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853383

Analogs

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Popular Name: (3R)-N-cyclopropyl-N-methyl-3-propyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-methyl-3-pr…

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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)	1.38	5.35	-42.11	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853420

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-ethyl-N-propyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-3-ethyl-N-pro…

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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)	1.69	5.93	-42.35	2	3	1	37	239.383	5	↓ MOL2 SDF SMILES Flexibase

62853421

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-ethyl-N-propyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-3-ethyl-N-pro…

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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)	1.69	5.9	-42.25	2	3	1	37	239.383	5	↓ MOL2 SDF SMILES Flexibase

62853422

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-methyl-N-propyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-3-methyl-N-pr…

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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)	1.36	5.58	-32.86	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853423

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-methyl-N-propyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-3-methyl-N-pr…

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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)	1.36	5.63	-32.59	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62853424

Analogs

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Popular Name: (3S)-N-cyclopropyl-N,3-dipropyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N,3-dipropyl-…

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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)	2.25	6.79	-42.36	2	3	1	37	253.41	6	↓ MOL2 SDF SMILES Flexibase

62853425

Analogs

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Popular Name: (3R)-N-cyclopropyl-N,3-dipropyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N,3-dipropyl-…

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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)	2.25	6.82	-41.83	2	3	1	37	253.41	6	↓ MOL2 SDF SMILES Flexibase

62854226

Analogs

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Popular Name: (3S)-N-cyclopropyl-3-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3S)-N-cyclopropyl-3-ethyl-N-(2-…

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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)	0.18	2.29	-42.01	3	4	1	57	241.355	5	↓ MOL2 SDF SMILES Flexibase

62854227

Analogs

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Popular Name: (3R)-N-cyclopropyl-3-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3R)-N-cyclopropyl-3-ethyl-N-(2-…

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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)	0.18	2.36	-40.67	3	4	1	57	241.355	5	↓ MOL2 SDF SMILES Flexibase

62854228

Analogs

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Popular Name: (3S)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.15	1.72	-41.09	3	4	1	57	227.328	4	↓ MOL2 SDF SMILES Flexibase

62854229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-piperidine-3-carboxamide (3R)-N-cyclopropyl-N-(2-hydroxye…

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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)	-0.15	1.73	-40.75	3	4	1	57	227.328	4	↓ MOL2 SDF SMILES Flexibase

62854230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclopropyl-N-(2-hydroxyethyl)-3-propyl-piperidine-3-carboxamide (3S)-N-cyclopropyl-N-(2-hydroxye…

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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)	0.74	2.97	-41.72	3	4	1	57	255.382	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11054
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 = 11054 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11054&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": "11054"        

    });
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