User Information

• Synonyms (0)
• Vendors (2)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (48)

ZINC34981356

• 34981356

Physical Representations

Activity (Go SEA)

• 34989884
  

  Analogs

  70613886

  

  70613887

  

  70613902

  

  70613903

  

  70613906

  

  Popular Name: 1-(azocan-1-yl)-3,3-dimethyl-butan-2-one 1-(azocan-1-yl)-3,3-dimethyl-but…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15031638

  • Enamine BB Make on Demand

    • BBV-27099405

  • UORSY BB Make-on-demand

    • BBV-27099405

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.13	8.43	-35.09	1	2	1	22	212.357	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34989884
• 70613763
  

  Analogs

  35020379

  

  35020381

  

  Popular Name: (3S)-3-[(4R)-4-ethylazepan-1-yl]butan-2-one (3S)-3-[(4R)-4-ethylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355284

  • Enamine BB Make on Demand

    • BBV-38766350

  • UORSY BB Make-on-demand

    • BBV-38766350

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.32	7.71	-32.53	1	2	1	22	198.33	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.32	5.75	-4.91	0	2	0	20	197.322	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613763
• 70613764
  

  Analogs

  35020379

  

  35020381

  

  Popular Name: (3S)-3-[(4S)-4-ethylazepan-1-yl]butan-2-one (3S)-3-[(4S)-4-ethylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355284

  • Enamine BB Make on Demand

    • BBV-38766350

  • UORSY BB Make-on-demand

    • BBV-38766350

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.32	7.68	-32.76	1	2	1	22	198.33	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.32	5.44	-5.25	0	2	0	20	197.322	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613764
• 70613777
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-ethylazepan-1-yl]-3,3-dimethyl-butan-2-one 1-[(4R)-4-ethylazepan-1-yl]-3,3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356638

  • Enamine BB Make on Demand

    • BBV-38766357

  • UORSY BB Make-on-demand

    • BBV-38766357

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.32	9.1	-36.18	1	2	1	22	226.384	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.32	7.27	-5.01	0	2	0	20	225.376	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613777
• 70613778
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-ethylazepan-1-yl]-3,3-dimethyl-butan-2-one 1-[(4S)-4-ethylazepan-1-yl]-3,3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356638

  • Enamine BB Make on Demand

    • BBV-38766357

  • UORSY BB Make-on-demand

    • BBV-38766357

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.32	8.99	-36.55	1	2	1	22	226.384	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.32	6.97	-5.08	0	2	0	20	225.376	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613778
• 70613836
  

  Analogs

  39078574

  

  Popular Name: 1-[(4S)-4-ethylazepan-1-yl]pentan-2-one 1-[(4S)-4-ethylazepan-1-yl]penta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354518

  • Enamine BB Make on Demand

    • BBV-38766359

  • UORSY BB Make-on-demand

    • BBV-38766359

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.06	8.8	-36.78	1	2	1	22	212.357	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.06	6.78	-5.41	0	2	0	20	211.349	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613836
• 70613837
  

  Analogs

  39078574

  

  Popular Name: 1-[(4R)-4-ethylazepan-1-yl]pentan-2-one 1-[(4R)-4-ethylazepan-1-yl]penta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354518

  • Enamine BB Make on Demand

    • BBV-38766359

  • UORSY BB Make-on-demand

    • BBV-38766359

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.06	8.76	-37.15	1	2	1	22	212.357	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.06	6.9	-4.75	0	2	0	20	211.349	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613837
• 70613852
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-ethylazepan-1-yl]propan-2-one 1-[(4R)-4-ethylazepan-1-yl]propa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355872

  • Enamine BB Make on Demand

    • BBV-38766367

  • UORSY BB Make-on-demand

    • BBV-38766367

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.99	7.28	-35.64	1	2	1	22	184.303	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.99	5.45	-5.61	0	2	0	20	183.295	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613852
• 70613853
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-ethylazepan-1-yl]propan-2-one 1-[(4S)-4-ethylazepan-1-yl]propa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355872

  • Enamine BB Make on Demand

    • BBV-38766367

  • UORSY BB Make-on-demand

    • BBV-38766367

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.99	7.18	-36.07	1	2	1	22	184.303	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.99	5.15	-5.66	0	2	0	20	183.295	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613853
• 70613860
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-ethylazepan-1-yl]butan-2-one 1-[(4R)-4-ethylazepan-1-yl]butan…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356831

  • Enamine BB Make on Demand

    • BBV-38766371

  • UORSY BB Make-on-demand

    • BBV-38766371

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.50	8.1	-36.46	1	2	1	22	198.33	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.50	6.27	-5.45	0	2	0	20	197.322	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613860
• 70613861
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-ethylazepan-1-yl]butan-2-one 1-[(4S)-4-ethylazepan-1-yl]butan…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356831

  • Enamine BB Make on Demand

    • BBV-38766371

  • UORSY BB Make-on-demand

    • BBV-38766371

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.50	8.01	-36.5	1	2	1	22	198.33	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.50	5.99	-5.49	0	2	0	20	197.322	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613861
• 70613862
  

  Analogs

  34981356

  

  Popular Name: 1-cyclopropyl-2-[(4R)-4-ethylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4R)-4-ethylaze…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357023

  • Enamine BB Make on Demand

    • BBV-38766372

  • UORSY BB Make-on-demand

    • BBV-38766372

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.49	8.88	-35.95	1	2	1	22	210.341	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.49	7.05	-5.14	0	2	0	20	209.333	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613862
• 70613863
  

  Analogs

  34981356

  

  Popular Name: 1-cyclopropyl-2-[(4S)-4-ethylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4S)-4-ethylaze…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357023

  • Enamine BB Make on Demand

    • BBV-38766372

  • UORSY BB Make-on-demand

    • BBV-38766372

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.49	8.78	-36.37	1	2	1	22	210.341	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.49	6.75	-5.2	0	2	0	20	209.333	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613863
• 70613864
  

  Analogs

  43803194

  

  Popular Name: 2-[(4R)-4-ethylazepan-1-yl]acetaldehyde 2-[(4R)-4-ethylazepan-1-yl]aceta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357024

  • Enamine BB Make on Demand

    • BBV-41244817
    • BBV-38766373

  • UORSY BB Make-on-demand

    • BBV-38766373

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.27	6.34	-39.32	1	2	1	22	170.276	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.65	5.27	-24.58	1	2	0	27	169.268	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613864
• 70613865
  

  Analogs

  43803194

  

  Popular Name: 2-[(4S)-4-ethylazepan-1-yl]acetaldehyde 2-[(4S)-4-ethylazepan-1-yl]aceta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357024

  • Enamine BB Make on Demand

    • BBV-41244817
    • BBV-38766373

  • UORSY BB Make-on-demand

    • BBV-38766373

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.27	6.24	-38.37	1	2	1	22	170.276	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.65	5.17	-24.62	1	2	0	27	169.268	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613865
• 70613874
  

  Analogs

  35020381

  

  35020379

  

  Popular Name: (3S)-3-[(4R)-4-propylazepan-1-yl]butan-2-one (3S)-3-[(4R)-4-propylazepan-1-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355293

  • Enamine BB Make on Demand

    • BBV-38766378

  • UORSY BB Make-on-demand

    • BBV-38766378

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.88	8.5	-32.44	1	2	1	22	212.357	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	6.51	-4.97	0	2	0	20	211.349	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613874
• 70613875
  

  Analogs

  35020381

  

  35020379

  

  Popular Name: (3S)-3-[(4S)-4-propylazepan-1-yl]butan-2-one (3S)-3-[(4S)-4-propylazepan-1-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355293

  • Enamine BB Make on Demand

    • BBV-38766378

  • UORSY BB Make-on-demand

    • BBV-38766378

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.88	8.48	-32.66	1	2	1	22	212.357	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	6.2	-5.3	0	2	0	20	211.349	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613875
• 70613886
  

  Analogs

  39078574

  

  Popular Name: 1-[(4R)-4-propylazepan-1-yl]pentan-2-one 1-[(4R)-4-propylazepan-1-yl]pent…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354527

  • Enamine BB Make on Demand

    • BBV-38766384

  • UORSY BB Make-on-demand

    • BBV-38766384

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.61	9.63	-36.91	1	2	1	22	226.384	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.61	7.81	-5.22	0	2	0	20	225.376	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613886
• 70613887
  

  Analogs

  39078574

  

  Popular Name: 1-[(4S)-4-propylazepan-1-yl]pentan-2-one 1-[(4S)-4-propylazepan-1-yl]pent…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354527

  • Enamine BB Make on Demand

    • BBV-38766384

  • UORSY BB Make-on-demand

    • BBV-38766384

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.61	9.55	-37.33	1	2	1	22	226.384	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.61	7.52	-5.39	0	2	0	20	225.376	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613887
• 70613902
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-propylazepan-1-yl]propan-2-one 1-[(4R)-4-propylazepan-1-yl]prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355682

  • Enamine BB Make on Demand

    • BBV-38766393

  • UORSY BB Make-on-demand

    • BBV-38766393

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.55	8.05	-35.65	1	2	1	22	198.33	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.55	6.22	-5.51	0	2	0	20	197.322	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613902
• 70613903
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-propylazepan-1-yl]propan-2-one 1-[(4S)-4-propylazepan-1-yl]prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355682

  • Enamine BB Make on Demand

    • BBV-38766393

  • UORSY BB Make-on-demand

    • BBV-38766393

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.55	7.94	-35.75	1	2	1	22	198.33	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.55	5.94	-5.58	0	2	0	20	197.322	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613903
• 70613904
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-propylazepan-1-yl]butan-2-one 1-[(4R)-4-propylazepan-1-yl]buta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356652

  • Enamine BB Make on Demand

    • BBV-38766394

  • UORSY BB Make-on-demand

    • BBV-38766394

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.06	8.87	-36.67	1	2	1	22	212.357	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.06	7.04	-5.4	0	2	0	20	211.349	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613904
• 70613905
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-propylazepan-1-yl]butan-2-one 1-[(4S)-4-propylazepan-1-yl]buta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356652

  • Enamine BB Make on Demand

    • BBV-38766394

  • UORSY BB Make-on-demand

    • BBV-38766394

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.06	8.78	-37.1	1	2	1	22	212.357	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.06	6.76	-5.5	0	2	0	20	211.349	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613905
• 70613906
  

  Analogs

  34981356

  

  Popular Name: 1-cyclopropyl-2-[(4R)-4-propylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4R)-4-propylaz…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356653

  • Enamine BB Make on Demand

    • BBV-38766395

  • UORSY BB Make-on-demand

    • BBV-38766395

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.05	9.64	-36.13	1	2	1	22	224.368	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.05	7.82	-5.07	0	2	0	20	223.36	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613906
• 70613907
  

  Analogs

  34981356

  

  Popular Name: 1-cyclopropyl-2-[(4S)-4-propylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4S)-4-propylaz…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356653

  • Enamine BB Make on Demand

    • BBV-38766395

  • UORSY BB Make-on-demand

    • BBV-38766395

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.05	9.55	-36.14	1	2	1	22	224.368	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.05	7.53	-5.13	0	2	0	20	223.36	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613907
• 70613908
  

  Analogs

  43803194

  

  Popular Name: 2-[(4R)-4-propylazepan-1-yl]acetaldehyde 2-[(4R)-4-propylazepan-1-yl]acet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356838

  • Enamine BB Make on Demand

    • BBV-38766396

  • UORSY BB Make-on-demand

    • BBV-38766396

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.83	7.11	-39.54	1	2	1	22	184.303	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.21	6.03	-24.69	1	2	0	27	183.295	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613908
• 70613909
  

  Analogs

  43803194

  

  Popular Name: 2-[(4S)-4-propylazepan-1-yl]acetaldehyde 2-[(4S)-4-propylazepan-1-yl]acet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64356838

  • Enamine BB Make on Demand

    • BBV-38766396

  • UORSY BB Make-on-demand

    • BBV-38766396

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.83	6.98	-39.56	1	2	1	22	184.303	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.21	5.95	-24.69	1	2	0	27	183.295	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613909
• 70613914
  

  Analogs

  35020379

  

  35020381

  

  Popular Name: (3S)-3-[(4R)-4-isopropylazepan-1-yl]butan-2-one (3S)-3-[(4R)-4-isopropylazepan-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355684

  • Enamine BB Make on Demand

    • BBV-38766399

  • UORSY BB Make-on-demand

    • BBV-38766399

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.14	8.11	-32.79	1	2	1	22	212.357	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.14	6.3	-4.76	0	2	0	20	211.349	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613914
• 70613915
  

  Analogs

  35020379

  

  35020381

  

  Popular Name: (3S)-3-[(4S)-4-isopropylazepan-1-yl]butan-2-one (3S)-3-[(4S)-4-isopropylazepan-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355684

  • Enamine BB Make on Demand

    • BBV-38766399

  • UORSY BB Make-on-demand

    • BBV-38766399

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.14	8.16	-32.66	1	2	1	22	212.357	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.14	5.93	-5.29	0	2	0	20	211.349	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613915
• 70613924
  

  Analogs

  39078574

  

  Popular Name: 1-[(4S)-4-isopropylazepan-1-yl]pentan-2-one 1-[(4S)-4-isopropylazepan-1-yl]p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355305

  • Enamine BB Make on Demand

    • BBV-38766404

  • UORSY BB Make-on-demand

    • BBV-38766404

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.87	9.29	-37.23	1	2	1	22	226.384	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.87	7.27	-5.38	0	2	0	20	225.376	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613924
• 70613925
  

  Analogs

  39078574

  

  Popular Name: 1-[(4R)-4-isopropylazepan-1-yl]pentan-2-one 1-[(4R)-4-isopropylazepan-1-yl]p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355305

  • Enamine BB Make on Demand

    • BBV-38766404

  • UORSY BB Make-on-demand

    • BBV-38766404

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.87	9.25	-37.5	1	2	1	22	226.384	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.87	7.38	-4.71	0	2	0	20	225.376	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613925
• 70613930
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-isopropylazepan-1-yl]propan-2-one 1-[(4R)-4-isopropylazepan-1-yl]p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357044

  • Enamine BB Make on Demand

    • BBV-38766407

  • UORSY BB Make-on-demand

    • BBV-38766407

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.81	7.74	-35.98	1	2	1	22	198.33	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.81	5.92	-5.43	0	2	0	20	197.322	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613930
• 70613931
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-isopropylazepan-1-yl]propan-2-one 1-[(4S)-4-isopropylazepan-1-yl]p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357044

  • Enamine BB Make on Demand

    • BBV-38766407

  • UORSY BB Make-on-demand

    • BBV-38766407

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.81	7.68	-36.13	1	2	1	22	198.33	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.81	5.66	-5.44	0	2	0	20	197.322	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613931
• 70613934
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-isopropylazepan-1-yl]butan-2-one 1-[(4S)-4-isopropylazepan-1-yl]b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355312

  • Enamine BB Make on Demand

    • BBV-38766409

  • UORSY BB Make-on-demand

    • BBV-38766409

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.31	8.52	-36.99	1	2	1	22	212.357	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.31	6.5	-5.5	0	2	0	20	211.349	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613934
• 70613935
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-isopropylazepan-1-yl]butan-2-one 1-[(4R)-4-isopropylazepan-1-yl]b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355312

  • Enamine BB Make on Demand

    • BBV-38766409

  • UORSY BB Make-on-demand

    • BBV-38766409

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.31	8.48	-37.24	1	2	1	22	212.357	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.31	6.6	-4.86	0	2	0	20	211.349	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613935
• 70613936
  

  Analogs

  34981356

  

  Popular Name: 1-cyclopropyl-2-[(4R)-4-isopropylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4R)-4-isopropy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355313

  • Enamine BB Make on Demand

    • BBV-38766410

  • UORSY BB Make-on-demand

    • BBV-38766410

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.30	9.34	-36.42	1	2	1	22	224.368	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.30	7.52	-5.08	0	2	0	20	223.36	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613936
• 70613937
  

  Analogs

  34981356

  

  Popular Name: 1-cyclopropyl-2-[(4S)-4-isopropylazepan-1-yl]ethanone 1-cyclopropyl-2-[(4S)-4-isopropy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355313

  • Enamine BB Make on Demand

    • BBV-38766410

  • UORSY BB Make-on-demand

    • BBV-38766410

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.30	9.29	-36.47	1	2	1	22	224.368	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.30	7.26	-5.14	0	2	0	20	223.36	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613937
• 70613938
  

  Analogs

  43803194

  

  Popular Name: 2-[(4R)-4-isopropylazepan-1-yl]acetaldehyde 2-[(4R)-4-isopropylazepan-1-yl]a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355503

  • Enamine BB Make on Demand

    • BBV-38766411

  • UORSY BB Make-on-demand

    • BBV-38766411

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.08	6.81	-39.8	1	2	1	22	184.303	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.47	5.73	-24.61	1	2	0	27	183.295	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613938
• 70613939
  

  Analogs

  43803194

  

  Popular Name: 2-[(4S)-4-isopropylazepan-1-yl]acetaldehyde 2-[(4S)-4-isopropylazepan-1-yl]a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64355503

  • Enamine BB Make on Demand

    • BBV-38766411

  • UORSY BB Make-on-demand

    • BBV-38766411

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.08	6.75	-38.87	1	2	1	22	184.303	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.47	5.67	-24.68	1	2	0	27	183.295	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613939
• 70613942
  

  Analogs

  35020379

  

  35020381

  

  Popular Name: (3S)-3-[(4S)-4-tert-butylazepan-1-yl]butan-2-one (3S)-3-[(4S)-4-tert-butylazepan-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357420

  • Enamine BB Make on Demand

    • BBV-38766413

  • UORSY BB Make-on-demand

    • BBV-38766413

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.96	8.49	-33.35	1	2	1	22	226.384	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.96	6.3	-5.23	0	2	0	20	225.376	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613942
• 70613943
  

  Analogs

  35020379

  

  35020381

  

  Popular Name: (3R)-3-[(4S)-4-tert-butylazepan-1-yl]butan-2-one (3R)-3-[(4S)-4-tert-butylazepan-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357420

  • Enamine BB Make on Demand

    • BBV-38766413

  • UORSY BB Make-on-demand

    • BBV-38766413

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.96	8.54	-33.15	1	2	1	22	226.384	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.96	6.73	-5.06	0	2	0	20	225.376	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613943
• 70613948
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-tert-butylazepan-1-yl]propan-2-one 1-[(4S)-4-tert-butylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357242

  • Enamine BB Make on Demand

    • BBV-38766416

  • UORSY BB Make-on-demand

    • BBV-38766416

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.63	8.06	-36.58	1	2	1	22	212.357	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.63	6.2	-5.17	0	2	0	20	211.349	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613948
• 70613949
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-tert-butylazepan-1-yl]propan-2-one 1-[(4R)-4-tert-butylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64357242

  • Enamine BB Make on Demand

    • BBV-38766416

  • UORSY BB Make-on-demand

    • BBV-38766416

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.63	8.06	-36.59	1	2	1	22	212.357	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.63	6.2	-5.17	0	2	0	20	211.349	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613949
• 70613950
  

  Analogs

  34981356

  

  Popular Name: 1-[(4S)-4-tert-butylazepan-1-yl]butan-2-one 1-[(4S)-4-tert-butylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354555

  • Enamine BB Make on Demand

    • BBV-38766417

  • UORSY BB Make-on-demand

    • BBV-38766417

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.14	8.88	-37.35	1	2	1	22	226.384	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.14	7.02	-5	0	2	0	20	225.376	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613950
• 70613951
  

  Analogs

  34981356

  

  Popular Name: 1-[(4R)-4-tert-butylazepan-1-yl]butan-2-one 1-[(4R)-4-tert-butylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354555

  • Enamine BB Make on Demand

    • BBV-38766417

  • UORSY BB Make-on-demand

    • BBV-38766417

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.14	8.88	-37.35	1	2	1	22	226.384	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.14	7.02	-5	0	2	0	20	225.376	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613951
• 70613952
  

  Analogs

  43803194

  

  Popular Name: 2-[(4R)-4-tert-butylazepan-1-yl]acetaldehyde 2-[(4R)-4-tert-butylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354746

  • Enamine BB Make on Demand

    • BBV-41923023

  • UORSY BB Make-on-demand

    • BBV-41923023

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.91	7.13	-40.36	1	2	1	22	198.33	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.29	6.05	-24.62	1	2	0	27	197.322	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613952
• 70613953
  

  Analogs

  43803194

  

  Popular Name: 2-[(4S)-4-tert-butylazepan-1-yl]acetaldehyde 2-[(4S)-4-tert-butylazepan-1-yl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 64354746

  • Enamine BB Make on Demand

    • BBV-41923023

  • UORSY BB Make-on-demand

    • BBV-41923023

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.91	7.09	-40.7	1	2	1	22	198.33	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.29	6.05	-24.6	1	2	0	27	197.322	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70613953
• 32228357
  

  Analogs

  34981356

  

  34989707

  

  1662134

  

  Popular Name: 1-cyclopropyl-2-pyrrolidin-1-yl-ethanone 1-cyclopropyl-2-pyrrolidin-1-yl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 558412

  • Enamine BB Make on Demand

    • BBV-38119206

  • UORSY BB Make-on-demand

    • BBV-38119206

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.78	6.28	-34.4	1	2	1	22	154.233	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.78	3.94	-5.93	0	2	0	20	153.225	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32228357