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ZINC Item

Suppliers, Protomers, & Similar Substances

52840344

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-[2-methyl-2-(1-piperidyl)propyl]oxamide N'-(4-chlorophenyl)-N-[2-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)	2.65	6.65	-35.58	3	5	1	63	338.859	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.83	5.89	-49.95	2	5	0	69	337.851	5	↓ MOL2 SDF SMILES Flexibase

52840347

Analogs

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Popular Name: N'-(4-methoxyphenyl)-N-[2-methyl-2-(1-piperidyl)propyl]oxamide N'-(4-methoxyphenyl)-N-[2-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)	2.03	5.41	-36.23	3	6	1	72	334.44	6	↓ MOL2 SDF SMILES Flexibase

52913631

Analogs

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Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]ethyl]oxamide N'-(4-chloro-3-fluoro-phenyl)-N-…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENV-1-V	Envelope Glycoprotein Gp160 (cluster #1 Of 2), Viral	Viruses	1600	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ENV_HV1Y2	P35961	Envelope Glycoprotein Gp160, Hv1y2	1600	0.34	Binding ≤ 10μM

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)	2.59	6.23	-39.32	3	5	1	63	356.849	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	5.45	-50.01	2	5	0	69	355.841	5	↓ MOL2 SDF SMILES Flexibase

52913632

Analogs

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Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]ethyl]oxamide N'-(4-chloro-3-fluoro-phenyl)-N-…

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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)	2.59	6.25	-39.5	3	5	1	63	356.849	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	5.46	-49.18	2	5	0	69	355.841	5	↓ MOL2 SDF SMILES Flexibase

52913634

Analogs

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Popular Name: N'-(4-chloro-3-fluoro-phenyl)-N-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethyl]oxamide N'-(4-chloro-3-fluoro-phenyl)-N-…

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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)	2.59	6.25	-39.52	3	5	1	63	356.849	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	5.46	-49.19	2	5	0	69	355.841	5	↓ MOL2 SDF SMILES Flexibase

62568364

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-N'-[2-(1-piperidyl)ethyl]oxamide N-(2-chloro-4-methoxy-phenyl)-N'…

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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)	1.82	4.94	-41.28	3	6	1	72	340.831	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	4.22	-55.81	2	6	0	78	339.823	6	↓ MOL2 SDF SMILES Flexibase

62570118

Analogs

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Popular Name: N'-(2-chloro-4-methoxy-phenyl)-N-[2-[(2S)-2-methyl-1-piperidyl]ethyl]oxamide N'-(2-chloro-4-methoxy-phenyl)-N…

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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)	2.15	5.42	-38.52	3	6	1	72	354.858	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	4.66	-54.56	2	6	0	78	353.85	6	↓ MOL2 SDF SMILES Flexibase

62586252

Analogs

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Popular Name: N'-(2-chloro-4-methoxy-phenyl)-N-[(2S)-2-(4-methyl-1-piperidyl)propyl]oxamide N'-(2-chloro-4-methoxy-phenyl)-N…

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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)	2.39	6.2	-38.06	3	6	1	72	368.885	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.58	5.44	-52.56	2	6	0	78	367.877	6	↓ MOL2 SDF SMILES Flexibase

54842976

Analogs

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Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-N'-[2-methyl-2-(1-piperidyl)propyl]oxamide N-(5-cyano-2-isopropoxy-phenyl)-…

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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)	2.45	7.56	-37.36	3	7	1	96	387.504	7	↓ MOL2 SDF SMILES Flexibase

54851062

Analogs

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Popular Name: N'-(5-cyano-2-isopropoxy-phenyl)-N-[(2S)-2-[(3R)-3-methyl-1-piperidyl]propyl]oxamide N'-(5-cyano-2-isopropoxy-phenyl)…

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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)	2.21	7.66	-39.45	3	7	1	96	387.504	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	6.81	-55.57	2	7	0	102	386.496	7	↓ MOL2 SDF SMILES Flexibase

54851065

Analogs

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Popular Name: N'-(5-cyano-2-isopropoxy-phenyl)-N-[(2S)-2-[(3S)-3-methyl-1-piperidyl]propyl]oxamide N'-(5-cyano-2-isopropoxy-phenyl)…

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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)	2.21	7.67	-39.52	3	7	1	96	387.504	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	6.76	-56.43	2	7	0	102	386.496	7	↓ MOL2 SDF SMILES Flexibase

54851140

Analogs

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Popular Name: N-(3-butoxyphenyl)-N'-[2-[(2S)-2-methyl-1-piperidyl]ethyl]oxamide N-(3-butoxyphenyl)-N'-[2-[(2S)-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)	2.96	7.31	-39.71	3	6	1	72	362.494	9	↓ MOL2 SDF SMILES Flexibase

54851142

Analogs

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Popular Name: N-(3-butoxyphenyl)-N'-[2-[(2R)-2-methyl-1-piperidyl]ethyl]oxamide N-(3-butoxyphenyl)-N'-[2-[(2R)-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)	2.96	7.31	-39.67	3	6	1	72	362.494	9	↓ MOL2 SDF SMILES Flexibase

66718866

Analogs

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Popular Name: N-[4-(isopropylcarbamoyl)-3-methyl-phenyl]-N'-[2-(1-piperidyl)ethyl]oxamide N-[4-(isopropylcarbamoyl)-3-meth…

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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)	1.40	5.66	-46.29	4	7	1	92	375.493	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.59	4.84	-58.92	3	7	0	98	374.485	7	↓ MOL2 SDF SMILES Flexibase

69514099

Analogs

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Popular Name: N-[3-[isopropyl(methyl)amino]phenyl]-N'-[2-methyl-2-(1-piperidyl)propyl]oxamide N-[3-[isopropyl(methyl)amino]phe…

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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)	2.72	7.98	-34.8	3	6	1	66	375.537	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.72	8.41	-72.23	4	6	0	67	376.545	7	↓ MOL2 SDF SMILES Flexibase

69516159

Analogs

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Popular Name: N'-[3-[isopropyl(methyl)amino]phenyl]-N-[2-(4-methyl-1-piperidyl)ethyl]oxamide N'-[3-[isopropyl(methyl)amino]ph…

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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)	2.15	7.48	-41.48	3	6	1	66	361.51	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.15	7.9	-83.25	4	6	0	67	362.518	7	↓ MOL2 SDF SMILES Flexibase

69516173

Analogs

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Popular Name: N'-[3-[isopropyl(methyl)amino]phenyl]-N-[2-[(3R)-3-methyl-1-piperidyl]ethyl]oxamide N'-[3-[isopropyl(methyl)amino]ph…

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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)	2.15	7.46	-40.87	3	6	1	66	361.51	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.15	7.89	-83.92	4	6	0	67	362.518	7	↓ MOL2 SDF SMILES Flexibase

69516176

Analogs

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Popular Name: N'-[3-[isopropyl(methyl)amino]phenyl]-N-[2-[(3S)-3-methyl-1-piperidyl]ethyl]oxamide N'-[3-[isopropyl(methyl)amino]ph…

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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)	2.15	7.46	-40.85	3	6	1	66	361.51	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.15	7.88	-82.85	4	6	0	67	362.518	7	↓ MOL2 SDF SMILES Flexibase

54945422

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-(4-methylsulfanylphenyl)oxamide N-[2-[(3S,5R)-3,5-dimethyl-1-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)	3.12	8.36	-36.27	3	5	1	63	378.562	6	↓ MOL2 SDF SMILES Flexibase

54945424

Analogs

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Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-(4-methylsulfanylphenyl)oxamide N-[2-[(3S,5S)-3,5-dimethyl-1-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)	3.12	8.37	-35.74	3	5	1	63	378.562	6	↓ MOL2 SDF SMILES Flexibase

54945426

Analogs

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Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-(4-methylsulfanylphenyl)oxamide N-[2-[(3R,5R)-3,5-dimethyl-1-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)	3.12	8.38	-35.82	3	5	1	63	378.562	6	↓ MOL2 SDF SMILES Flexibase

54945465

Analogs

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Popular Name: N'-(3,5-difluorophenyl)-N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-(3,5-difluorophenyl)-N-[2-[(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)	2.94	7.49	-36.17	3	5	1	63	368.448	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	6.65	-47.86	2	5	0	69	367.44	5	↓ MOL2 SDF SMILES Flexibase

54945467

Analogs

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Popular Name: N'-(3,5-difluorophenyl)-N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-(3,5-difluorophenyl)-N-[2-[(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)	2.94	7.48	-35.62	3	5	1	63	368.448	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	6.64	-47.91	2	5	0	69	367.44	5	↓ MOL2 SDF SMILES Flexibase

54945468

Analogs

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Popular Name: N'-(3,5-difluorophenyl)-N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-(3,5-difluorophenyl)-N-[2-[(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)	2.94	7.49	-35.7	3	5	1	63	368.448	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	6.66	-48.32	2	5	0	69	367.44	5	↓ MOL2 SDF SMILES Flexibase

54945675

Analogs

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Popular Name: N'-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(o-tolyl)oxamide N'-[2-[(3S,5R)-3,5-dimethyl-1-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)	3.09	8.19	-35.03	3	5	1	63	346.495	5	↓ MOL2 SDF SMILES Flexibase

54945677

Analogs

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Popular Name: N'-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(o-tolyl)oxamide N'-[2-[(3S,5S)-3,5-dimethyl-1-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)	3.09	8.2	-34.53	3	5	1	63	346.495	5	↓ MOL2 SDF SMILES Flexibase

54945679

Analogs

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Popular Name: N'-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(o-tolyl)oxamide N'-[2-[(3R,5R)-3,5-dimethyl-1-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)	3.09	8.2	-34.63	3	5	1	63	346.495	5	↓ MOL2 SDF SMILES Flexibase

54945706

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-[4-(methylcarbamoyl)phenyl]oxamide N-[2-[(3S,5R)-3,5-dimethyl-1-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)	1.88	5.62	-42.59	4	7	1	92	389.52	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	4.8	-58.3	3	7	0	98	388.512	6	↓ MOL2 SDF SMILES Flexibase

54945708

Analogs

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Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-[4-(methylcarbamoyl)phenyl]oxamide N-[2-[(3S,5S)-3,5-dimethyl-1-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)	1.88	5.67	-42	4	7	1	92	389.52	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	4.81	-58.36	3	7	0	98	388.512	6	↓ MOL2 SDF SMILES Flexibase

54945711

Analogs

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Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-[4-(methylcarbamoyl)phenyl]oxamide N-[2-[(3R,5R)-3,5-dimethyl-1-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)	1.88	5.64	-42.11	4	7	1	92	389.52	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	4.82	-58.84	3	7	0	98	388.512	6	↓ MOL2 SDF SMILES Flexibase

54945718

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-[2-(methoxymethyl)phenyl]oxamide N-[2-[(3S,5R)-3,5-dimethyl-1-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)	2.59	7.4	-36.34	3	6	1	72	376.521	7	↓ MOL2 SDF SMILES Flexibase

54945719

Analogs

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Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-[2-(methoxymethyl)phenyl]oxamide N-[2-[(3S,5S)-3,5-dimethyl-1-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)	2.59	7.4	-35.79	3	6	1	72	376.521	7	↓ MOL2 SDF SMILES Flexibase

54945722

Analogs

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Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-[2-(methoxymethyl)phenyl]oxamide N-[2-[(3R,5R)-3,5-dimethyl-1-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)	2.59	7.41	-35.86	3	6	1	72	376.521	7	↓ MOL2 SDF SMILES Flexibase

54945731

Analogs

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Popular Name: N'-[3-(dimethylaminomethyl)phenyl]-N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-[3-(dimethylaminomethyl)pheny…

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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	9.24	-79.71	4	6	2	67	390.572	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	6.78	-35.1	3	6	1	66	389.564	7	↓ MOL2 SDF SMILES Flexibase

54945733

Analogs

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Popular Name: N'-[3-(dimethylaminomethyl)phenyl]-N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-[3-(dimethylaminomethyl)pheny…

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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	9.24	-78.95	4	6	2	67	390.572	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	6.77	-34.57	3	6	1	66	389.564	7	↓ MOL2 SDF SMILES Flexibase

54945735

Analogs

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Popular Name: N'-[3-(dimethylaminomethyl)phenyl]-N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-[3-(dimethylaminomethyl)pheny…

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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	9.25	-79.08	4	6	2	67	390.572	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	6.78	-34.71	3	6	1	66	389.564	7	↓ MOL2 SDF SMILES Flexibase

54945851

Analogs

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Popular Name: N'-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(4-fluoro-2-methyl-phenyl)oxamide N'-[2-[(3S,5R)-3,5-dimethyl-1-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)	3.23	8.26	-36.25	3	5	1	63	364.485	5	↓ MOL2 SDF SMILES Flexibase

54945853

Analogs

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Popular Name: N'-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(4-fluoro-2-methyl-phenyl)oxamide N'-[2-[(3S,5S)-3,5-dimethyl-1-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)	3.23	8.3	-35.77	3	5	1	63	364.485	5	↓ MOL2 SDF SMILES Flexibase

54945855

Analogs

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Popular Name: N'-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(4-fluoro-2-methyl-phenyl)oxamide N'-[2-[(3R,5R)-3,5-dimethyl-1-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)	3.23	8.27	-35.81	3	5	1	63	364.485	5	↓ MOL2 SDF SMILES Flexibase

54946005

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-(3-fluoro-4-methoxy-phenyl)oxamide N-[2-[(3S,5R)-3,5-dimethyl-1-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)	2.84	6.71	-38.96	3	6	1	72	380.484	6	↓ MOL2 SDF SMILES Flexibase

54946007

Analogs

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Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-(3-fluoro-4-methoxy-phenyl)oxamide N-[2-[(3S,5S)-3,5-dimethyl-1-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)	2.84	6.71	-38.42	3	6	1	72	380.484	6	↓ MOL2 SDF SMILES Flexibase

54946009

Analogs

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Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N'-(3-fluoro-4-methoxy-phenyl)oxamide N-[2-[(3R,5R)-3,5-dimethyl-1-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)	2.84	6.72	-38.56	3	6	1	72	380.484	6	↓ MOL2 SDF SMILES Flexibase

54946023

Analogs

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Popular Name: N'-[3-(difluoromethoxy)phenyl]-N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-[3-(difluoromethoxy)phenyl]-N…

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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	6.92	-38.44	3	6	1	72	398.474	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.46	6.09	-53.02	2	6	0	78	397.466	7	↓ MOL2 SDF SMILES Flexibase

54946025

Analogs

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Popular Name: N'-[3-(difluoromethoxy)phenyl]-N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-[3-(difluoromethoxy)phenyl]-N…

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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	6.92	-37.82	3	6	1	72	398.474	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.46	6.09	-53.1	2	6	0	78	397.466	7	↓ MOL2 SDF SMILES Flexibase

54946027

Analogs

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Popular Name: N'-[3-(difluoromethoxy)phenyl]-N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-[3-(difluoromethoxy)phenyl]-N…

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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	6.93	-37.93	3	6	1	72	398.474	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.46	6.11	-53.68	2	6	0	78	397.466	7	↓ MOL2 SDF SMILES Flexibase

54946173

Analogs

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Popular Name: N'-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(2-fluoro-4-methyl-phenyl)oxamide N'-[2-[(3S,5R)-3,5-dimethyl-1-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)	3.23	8.08	-35.82	3	5	1	63	364.485	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.41	7.3	-50.31	2	5	0	69	363.477	5	↓ MOL2 SDF SMILES Flexibase

54946176

Analogs

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Popular Name: N'-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(2-fluoro-4-methyl-phenyl)oxamide N'-[2-[(3S,5S)-3,5-dimethyl-1-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)	3.23	8.08	-35.15	3	5	1	63	364.485	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.41	7.32	-50.53	2	5	0	69	363.477	5	↓ MOL2 SDF SMILES Flexibase

54946179

Analogs

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Popular Name: N'-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-N-(2-fluoro-4-methyl-phenyl)oxamide N'-[2-[(3R,5R)-3,5-dimethyl-1-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)	3.23	8.08	-35.25	3	5	1	63	364.485	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.41	7.33	-51.06	2	5	0	69	363.477	5	↓ MOL2 SDF SMILES Flexibase

54946204

Analogs

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Popular Name: N'-(3-chloro-4-methoxy-phenyl)-N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-(3-chloro-4-methoxy-phenyl)-N…

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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	7.19	-37.68	3	6	1	72	396.939	6	↓ MOL2 SDF SMILES Flexibase

54946207

Analogs

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Popular Name: N'-(3-chloro-4-methoxy-phenyl)-N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]oxamide N'-(3-chloro-4-methoxy-phenyl)-N…

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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	7.19	-37.14	3	6	1	72	396.939	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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