ZINC 12

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)	3.44	9.02	-44.59	2	4	1	37	308.421	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.44	6.39	-9.59	1	4	0	36	307.413	4	↓ MOL2 SDF SMILES Flexibase

53538526

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-f…

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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)	3.44	9.01	-43.71	2	4	1	37	308.421	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.44	6.98	-7.39	1	4	0	36	307.413	4	↓ MOL2 SDF SMILES Flexibase

53538601

Analogs

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Popular Name: (3R)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methyl-piperidine-1-carboxamide (3R)-N-[(2R)-2-(dimethylamino)-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)	3.44	9.01	-44.39	2	4	1	37	308.421	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.44	6.36	-9.7	1	4	0	36	307.413	4	↓ MOL2 SDF SMILES Flexibase

53538605

Analogs

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Popular Name: (3S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methyl-piperidine-1-carboxamide (3S)-N-[(2R)-2-(dimethylamino)-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)	3.44	9.02	-44.61	2	4	1	37	308.421	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.44	6.35	-9.64	1	4	0	36	307.413	4	↓ MOL2 SDF SMILES Flexibase

53538609

Analogs

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Popular Name: (3R)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methyl-piperidine-1-carboxamide (3R)-N-[(2S)-2-(dimethylamino)-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)	3.44	9	-43.76	2	4	1	37	308.421	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.44	6.21	-7.36	1	4	0	36	307.413	4	↓ MOL2 SDF SMILES Flexibase

53538614

Analogs

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Popular Name: (3S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methyl-piperidine-1-carboxamide (3S)-N-[(2S)-2-(dimethylamino)-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)	3.44	9.01	-43.52	2	4	1	37	308.421	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.44	6.22	-7.72	1	4	0	36	307.413	4	↓ MOL2 SDF SMILES Flexibase

53540220

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	11.36	-43.78	2	6	1	63	376.521	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.08	9.12	-11.83	1	6	0	62	375.513	8	↓ MOL2 SDF SMILES Flexibase

53540224

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	11.37	-46.83	2	6	1	63	376.521	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.08	9.25	-12.75	1	6	0	62	375.513	8	↓ MOL2 SDF SMILES Flexibase

53556621

Analogs

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Popular Name: (3S,5R)-N-[2-(2-fluorophenyl)ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3S,5R)-N-[2-(2-fluorophenyl)eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	8.43	-10.34	1	3	0	32	278.371	3	↓ MOL2 SDF SMILES Flexibase

53556627

Analogs

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Popular Name: (3S,5S)-N-[2-(2-fluorophenyl)ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3S,5S)-N-[2-(2-fluorophenyl)eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	8.68	-10.1	1	3	0	32	278.371	3	↓ MOL2 SDF SMILES Flexibase

53556629

Analogs

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Popular Name: (3R,5R)-N-[2-(2-fluorophenyl)ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3R,5R)-N-[2-(2-fluorophenyl)eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	8.68	-10.22	1	3	0	32	278.371	3	↓ MOL2 SDF SMILES Flexibase

62525365

Analogs

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Popular Name: 4-cyano-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide 4-cyano-N-[2-(2-methoxyphenyl)et…

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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)	2.92	6.83	-15.76	1	5	0	65	287.363	4	↓ MOL2 SDF SMILES Flexibase

54650803

Analogs

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Popular Name: N-[2-(2,6-dichlorophenyl)ethyl]-4-(2-dimethylaminoethyl)piperidine-1-carboxamide N-[2-(2,6-dichlorophenyl)ethyl]-…

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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)	4.87	10.61	-44.24	2	4	1	37	373.348	6	↓ MOL2 SDF SMILES Flexibase

54651089

Analogs

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Popular Name: ethyl ethyl

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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)	4.62	9.62	-12.71	1	5	0	59	373.28	6	↓ MOL2 SDF SMILES Flexibase

54651106

Analogs

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Popular Name: (3S)-N-[2-(2,6-dichlorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide (3S)-N-[2-(2,6-dichlorophenyl)et…

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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	3.99	-16.61	2	6	0	79	394.324	5	↓ MOL2 SDF SMILES Flexibase

54759010

Analogs

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Popular Name: (2R)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-piperidine-1-carboxamide (2R)-N-[2-(2,5-dimethoxyphenyl)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)	3.63	6.47	-10.84	1	5	0	51	306.406	5	↓ MOL2 SDF SMILES Flexibase

54759013

Analogs

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Popular Name: (2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-piperidine-1-carboxamide (2S)-N-[2-(2,5-dimethoxyphenyl)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)	3.63	6.43	-10.74	1	5	0	51	306.406	5	↓ MOL2 SDF SMILES Flexibase

54759076

Analogs

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Popular Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-methyl-piperidine-1-carboxamide N-[2-(2,5-dimethoxyphenyl)ethyl]…

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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)	3.54	6.44	-11.66	1	5	0	51	306.406	5	↓ MOL2 SDF SMILES Flexibase

54759307

Analogs

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Popular Name: (3R)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methyl-piperidine-1-carboxamide (3R)-N-[2-(2,5-dimethoxyphenyl)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)	3.54	6.43	-11.81	1	5	0	51	306.406	5	↓ MOL2 SDF SMILES Flexibase

54759308

Analogs

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Popular Name: (3S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methyl-piperidine-1-carboxamide (3S)-N-[2-(2,5-dimethoxyphenyl)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)	3.54	6.44	-11.81	1	5	0	51	306.406	5	↓ MOL2 SDF SMILES Flexibase

54759316

Analogs

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Popular Name: (3S,5R)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3S,5R)-N-[2-(2,5-dimethoxypheny…

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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)	4.01	7.01	-11.31	1	5	0	51	320.433	5	↓ MOL2 SDF SMILES Flexibase

54759318

Analogs

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Popular Name: (3S,5S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3S,5S)-N-[2-(2,5-dimethoxypheny…

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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)	4.01	7.27	-11.3	1	5	0	51	320.433	5	↓ MOL2 SDF SMILES Flexibase

54759320

Analogs

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Popular Name: (3R,5R)-N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3R,5R)-N-[2-(2,5-dimethoxypheny…

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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)	4.01	7.26	-11.26	1	5	0	51	320.433	5	↓ MOL2 SDF SMILES Flexibase

56761363

Analogs

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Popular Name: (3R)-N-[(1S)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3-methyl-piperidine-1-carboxamide (3R)-N-[(1S)-2-(4-hydroxyphenyl)…

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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	5.95	-11.07	2	4	0	53	276.38	3	↓ MOL2 SDF SMILES Flexibase

56761365

Analogs

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Popular Name: (3S)-N-[(1S)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3-methyl-piperidine-1-carboxamide (3S)-N-[(1S)-2-(4-hydroxyphenyl)…

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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	5.97	-11.52	2	4	0	53	276.38	3	↓ MOL2 SDF SMILES Flexibase

56761366

Analogs

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Popular Name: (3R)-N-[(1R)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3-methyl-piperidine-1-carboxamide (3R)-N-[(1R)-2-(4-hydroxyphenyl)…

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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	5.95	-11.47	2	4	0	53	276.38	3	↓ MOL2 SDF SMILES Flexibase

56761369

Analogs

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Popular Name: (3S)-N-[(1R)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3-methyl-piperidine-1-carboxamide (3S)-N-[(1R)-2-(4-hydroxyphenyl)…

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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	5.96	-11.02	2	4	0	53	276.38	3	↓ MOL2 SDF SMILES Flexibase

56761403

Analogs

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Popular Name: (3S,5R)-N-[(1S)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3S,5R)-N-[(1S)-2-(4-hydroxyphen…

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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)	3.82	6.54	-11.04	2	4	0	53	290.407	3	↓ MOL2 SDF SMILES Flexibase

56761405

Analogs

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Popular Name: (3S,5S)-N-[(1S)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3S,5S)-N-[(1S)-2-(4-hydroxyphen…

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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)	3.82	6.79	-11.32	2	4	0	53	290.407	3	↓ MOL2 SDF SMILES Flexibase

56761406

Analogs

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Popular Name: (3R,5R)-N-[(1S)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-3,5-dimethyl-piperidine-1-carboxamide (3R,5R)-N-[(1S)-2-(4-hydroxyphen…

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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)	3.82	6.79	-10.92	2	4	0	53	290.407	3	↓ MOL2 SDF SMILES Flexibase

56761413

Analogs

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Popular Name: ethyl ethyl

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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)	3.21	6.91	-15.84	2	6	0	79	334.416	6	↓ MOL2 SDF SMILES Flexibase

56761415

Analogs

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Popular Name: ethyl ethyl

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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)	3.21	6.9	-14.57	2	6	0	79	334.416	6	↓ MOL2 SDF SMILES Flexibase

56761669

Analogs

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Popular Name: N-[(1S)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-methyl-piperidine-1-carboxamide N-[(1S)-2-(4-hydroxyphenyl)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	5.97	-11.29	2	4	0	53	276.38	3	↓ MOL2 SDF SMILES Flexibase

56761671

Analogs

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Popular Name: N-[(1R)-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-methyl-piperidine-1-carboxamide N-[(1R)-2-(4-hydroxyphenyl)-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	5.96	-11.19	2	4	0	53	276.38	3	↓ MOL2 SDF SMILES Flexibase

56870763

Analogs

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Popular Name: 4-(2-dimethylaminoethyl)-N-(2-methyl-2-phenyl-propyl)piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-(2-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.58	10.83	-44.6	2	4	1	37	332.512	6	↓ MOL2 SDF SMILES Flexibase

56880979

Analogs

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Popular Name: 4-(2-dimethylaminoethyl)-N-[(2R)-3-methyl-2-phenyl-butyl]piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-[(2R)…

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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)	4.99	11.39	-43.49	2	4	1	37	346.539	7	↓ MOL2 SDF SMILES Flexibase

56880980

Analogs

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Popular Name: 4-(2-dimethylaminoethyl)-N-[(2S)-3-methyl-2-phenyl-butyl]piperidine-1-carboxamide 4-(2-dimethylaminoethyl)-N-[(2S)…

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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)	4.99	11.39	-45.65	2	4	1	37	346.539	7	↓ MOL2 SDF SMILES Flexibase

57281607

Analogs

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Popular Name: N-[2-(4-chlorophenyl)-2-methyl-propyl]-4-(2-dimethylaminoethyl)piperidine-1-carboxamide N-[2-(4-chlorophenyl)-2-methyl-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)	5.25	11.36	-45	2	4	1	37	366.957	6	↓ MOL2 SDF SMILES Flexibase

57282580

Analogs

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Popular Name: ethyl ethyl

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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)	5.01	10.35	-12.42	1	5	0	59	366.889	6	↓ MOL2 SDF SMILES Flexibase

57982827

Analogs

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Popular Name: (3R)-N3-ethyl-N1-phenethyl-piperidine-1,3-dicarboxamide (3R)-N3-ethyl-N1-phenethyl-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)	2.60	6.19	-12.13	2	5	0	61	303.406	5	↓ MOL2 SDF SMILES Flexibase

57982831

Analogs

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Popular Name: (3S)-N3-ethyl-N1-phenethyl-piperidine-1,3-dicarboxamide (3S)-N3-ethyl-N1-phenethyl-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)	2.60	6.2	-12.27	2	5	0	61	303.406	5	↓ MOL2 SDF SMILES Flexibase

57983238

Analogs

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Popular Name: (3R)-N1-[2-(3,4-dimethoxyphenyl)ethyl]-N3-ethyl-piperidine-1,3-dicarboxamide (3R)-N1-[2-(3,4-dimethoxyphenyl)…

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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	5.39	-16.62	2	7	0	80	363.458	7	↓ MOL2 SDF SMILES Flexibase

57983242

Analogs

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Popular Name: (3S)-N1-[2-(3,4-dimethoxyphenyl)ethyl]-N3-ethyl-piperidine-1,3-dicarboxamide (3S)-N1-[2-(3,4-dimethoxyphenyl)…

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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	5.4	-16.78	2	7	0	80	363.458	7	↓ MOL2 SDF SMILES Flexibase

57983244

Analogs

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Popular Name: (3R)-N3-ethyl-N1-[2-(4-fluorophenyl)ethyl]piperidine-1,3-dicarboxamide (3R)-N3-ethyl-N1-[2-(4-fluorophe…

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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	6.26	-13.57	2	5	0	61	321.396	5	↓ MOL2 SDF SMILES Flexibase

57983253

Analogs

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Popular Name: (3S)-N3-ethyl-N1-[2-(4-fluorophenyl)ethyl]piperidine-1,3-dicarboxamide (3S)-N3-ethyl-N1-[2-(4-fluorophe…

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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	6.27	-13.71	2	5	0	61	321.396	5	↓ MOL2 SDF SMILES Flexibase

57988253

Analogs

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Popular Name: (3R)-N1-[2-(4-chlorophenyl)ethyl]-N3-ethyl-piperidine-1,3-dicarboxamide (3R)-N1-[2-(4-chlorophenyl)ethyl…

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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)	3.28	6.71	-12.84	2	5	0	61	337.851	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 67366
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 = 67366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=67366&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": "67366"        

    });
</script>

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