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ZINC Item

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6729012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, N-(4-chlorophenyl)hexahydro- 1H-azepine-1-acetamide, N-(4-chl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	-0.31	-40.84	2	3	1	33	267.78	3	↓ MOL2 SDF SMILES Flexibase

6729845

Analogs

3538877

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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)	3.96	0.23	-40.47	2	3	1	33	281.807	3	↓ MOL2 SDF SMILES Flexibase

52856403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, N-ethylhexahydro-N-phenyl- 1H-azepine-1-acetamide, N-ethylh…

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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)	3.18	9.85	-39.01	1	3	1	25	261.389	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	7.82	-8.95	0	3	0	24	260.381	4	↓ MOL2 SDF SMILES Flexibase

52856778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(azepan-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propanamide (2R)-2-(azepan-1-yl)-N-(2-isopro…

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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)	3.34	10.76	-36.48	2	3	1	34	303.47	4	↓ MOL2 SDF SMILES Flexibase

52856780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(azepan-1-yl)-N-(2-isopropyl-6-methyl-phenyl)propanamide (2S)-2-(azepan-1-yl)-N-(2-isopro…

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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)	3.34	10.69	-36.52	2	3	1	34	303.47	4	↓ MOL2 SDF SMILES Flexibase

52856990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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	7.68	-46.26	3	5	1	63	318.441	5	↓ MOL2 SDF SMILES Flexibase

19999211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-(azepan-1-yl)acetamide N-(4-amino-2,6-dichloro-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)	3.22	6.45	-37.94	4	4	1	60	317.24	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.22	4.19	-10.63	3	4	0	58	316.232	3	↓ MOL2 SDF SMILES Flexibase

56170865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-isopentyl-propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.54	8.19	-44.18	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-isopentyl-propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.54	8.19	-44.38	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-(1-ethylpropyl)propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.63	8.51	-43.4	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-(1-ethylpropyl)propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.63	8.53	-43.49	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-[(1R)-1-methylbutyl]propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.66	8.68	-44.01	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-[(1S)-1-methylbutyl]propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.66	8.68	-44.02	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-[(1R)-1-methylbutyl]propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.66	8.69	-44.18	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-[(1S)-1-methylbutyl]propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.66	8.69	-44.2	4	6	1	75	389.564	9	↓ MOL2 SDF SMILES Flexibase

56170875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-prop-2-ynyl-propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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	6.63	-44.17	4	6	1	75	357.478	7	↓ MOL2 SDF SMILES Flexibase

56170876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-prop-2-ynyl-propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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	6.63	-44	4	6	1	75	357.478	7	↓ MOL2 SDF SMILES Flexibase

56170877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,N-diallyl-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]propanamide (2S)-N,N-diallyl-2-[4-[[2-(azepa…

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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)	4.42	9.91	-44.2	3	6	1	66	399.559	10	↓ MOL2 SDF SMILES Flexibase

56170878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N-diallyl-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]propanamide (2R)-N,N-diallyl-2-[4-[[2-(azepa…

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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)	4.42	10.03	-44.04	3	6	1	66	399.559	10	↓ MOL2 SDF SMILES Flexibase

56170879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N,N-diethyl-propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	3.88	8.84	-44.73	3	6	1	66	375.537	8	↓ MOL2 SDF SMILES Flexibase

56170880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N,N-diethyl-propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	3.88	8.89	-44.64	3	6	1	66	375.537	8	↓ MOL2 SDF SMILES Flexibase

56170922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-(methylcarbamoyl)propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	2.54	5.52	-54.92	5	8	1	104	376.481	6	↓ MOL2 SDF SMILES Flexibase

56170923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-(methylcarbamoyl)propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	2.54	5.51	-54.66	5	8	1	104	376.481	6	↓ MOL2 SDF SMILES Flexibase

56170928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-tert-butyl-propanamide (2S)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.07	7.45	-43.6	4	6	1	75	375.537	7	↓ MOL2 SDF SMILES Flexibase

56170929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[[2-(azepan-1-yl)acetyl]amino]anilino]-N-tert-butyl-propanamide (2R)-2-[4-[[2-(azepan-1-yl)acety…

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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)	4.07	7.45	-43.43	4	6	1	75	375.537	7	↓ MOL2 SDF SMILES Flexibase

66213120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, N-[4-(acetylmethylamino)phenyl]hexahydro- 1H-azepine-1-acetamide, N-[4-(ac…

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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	7.53	-44.99	2	5	1	54	304.414	4	↓ MOL2 SDF SMILES Flexibase

66213125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, hexahydro-N-methyl-N-phenyl- 1H-azepine-1-acetamide, hexahydr…

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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)	2.80	9.02	-39.26	1	3	1	25	247.362	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.80	7	-9.25	0	3	0	24	246.354	3	↓ MOL2 SDF SMILES Flexibase

66213129

Analogs

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Popular Name: 1H-azepine-1-acetamide, N-[4-(hexyloxy)phenyl]hexahydro- 1H-azepine-1-acetamide, N-[4-(he…

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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)	5.43	10.69	-41.31	2	4	1	43	333.496	9	↓ MOL2 SDF SMILES Flexibase

66213130

Analogs

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Popular Name: 1H-azepine-1-acetamide, N-(4-butoxyphenyl)hexahydro- 1H-azepine-1-acetamide, N-(4-but…

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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)	4.42	9.13	-41.37	2	4	1	43	305.442	7	↓ MOL2 SDF SMILES Flexibase

66213131

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-(2-methylpropoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.11	9.03	-41.16	2	4	1	43	305.442	6	↓ MOL2 SDF SMILES Flexibase

66213132

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-(4-propoxyphenyl)- 1H-azepine-1-acetamide, hexahydr…

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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)	3.86	8.35	-41.44	2	4	1	43	291.415	6	↓ MOL2 SDF SMILES Flexibase

66213133

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-(3-methylbutoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.64	9.65	-41.25	2	4	1	43	319.469	7	↓ MOL2 SDF SMILES Flexibase

66213134

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-(2-propenyloxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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	8.13	-41.7	2	4	1	43	289.399	6	↓ MOL2 SDF SMILES Flexibase

66213140

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-(1-methylethoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	3.72	8.16	-41.62	2	4	1	43	291.415	5	↓ MOL2 SDF SMILES Flexibase

66213141

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-(2-methoxyethoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	2.87	6.82	-43.43	2	5	1	52	307.414	7	↓ MOL2 SDF SMILES Flexibase

66213145

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[2-(2-methylpropoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.06	9.17	-37.27	2	4	1	43	305.442	6	↓ MOL2 SDF SMILES Flexibase

66213146

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[3-(2-methylpropoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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	9.04	-40.17	2	4	1	43	305.442	6	↓ MOL2 SDF SMILES Flexibase

66213147

Analogs

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Popular Name: 1H-azepine-1-acetamide, N-[3-(hexyloxy)phenyl]hexahydro- 1H-azepine-1-acetamide, N-[3-(he…

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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)	5.41	10.69	-40.32	2	4	1	43	333.496	9	↓ MOL2 SDF SMILES Flexibase

66213148

Analogs

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Popular Name: 1H-azepine-1-acetamide, N-(3-butoxyphenyl)hexahydro- 1H-azepine-1-acetamide, N-(3-but…

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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)	4.40	9.13	-40.33	2	4	1	43	305.442	7	↓ MOL2 SDF SMILES Flexibase

66213149

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-(3-propoxyphenyl)- 1H-azepine-1-acetamide, hexahydr…

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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)	3.84	8.34	-40.36	2	4	1	43	291.415	6	↓ MOL2 SDF SMILES Flexibase

66213150

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[3-(3-methylbutoxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.61	9.65	-40.32	2	4	1	43	319.469	7	↓ MOL2 SDF SMILES Flexibase

66213151

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[4-[(2-methyl-2-propenyl)oxy]phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.17	8.94	-41.68	2	4	1	43	303.426	6	↓ MOL2 SDF SMILES Flexibase

66213152

Analogs

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Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[2-(2-propenyloxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	3.58	8.27	-37.41	2	4	1	43	289.399	6	↓ MOL2 SDF SMILES Flexibase

66213153

Analogs

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Popular Name: 1H-azepine-1-acetamide, N-(3-ethoxyphenyl)hexahydro- 1H-azepine-1-acetamide, N-(3-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)	3.34	7.54	-40.56	2	4	1	43	277.388	5	↓ MOL2 SDF SMILES Flexibase

66213154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[2-[(2-methyl-2-propenyl)oxy]phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.13	9.09	-37.58	2	4	1	43	303.426	6	↓ MOL2 SDF SMILES Flexibase

66213155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[3-[(2-methyl-2-propenyl)oxy]phenyl]- 1H-azepine-1-acetamide, hexahydr…

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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)	4.15	8.93	-40.5	2	4	1	43	303.426	6	↓ MOL2 SDF SMILES Flexibase

66213158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, N-[4-(2-ethoxyethoxy)phenyl]hexahydro- 1H-azepine-1-acetamide, N-[4-(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)	3.25	7.78	-43.31	2	5	1	52	321.441	8	↓ MOL2 SDF SMILES Flexibase

66213162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, hexahydro-N-[3-(2-propenyloxy)phenyl]- 1H-azepine-1-acetamide, hexahydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	8.14	-40.66	2	4	1	43	289.399	6	↓ MOL2 SDF SMILES Flexibase

66213163

Analogs

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Popular Name: 1H-azepine-1-acetamide, N-(2-butoxyphenyl)hexahydro- 1H-azepine-1-acetamide, N-(2-but…

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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)	4.37	9.27	-37.32	2	4	1	43	305.442	7	↓ MOL2 SDF SMILES Flexibase

66213166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine-1-acetamide, N-[2-(2-ethoxyethoxy)phenyl]hexahydro- 1H-azepine-1-acetamide, N-[2-(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)	3.20	7.92	-38.16	2	5	1	52	321.441	8	↓ MOL2 SDF SMILES Flexibase

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