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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (3)
• Analogs (4)

ZINC37823717

• 37823717

Physical Representations

Activity (Go SEA)

• 49090349
  

  Analogs

  37819305

  

  37819306

  

  Popular Name: 2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(1S,2R)-2-methylcyclopropa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47415145

  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)	0.04	3.82	-47.42	3	5	1	68	240.327	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.04	2.21	-12.81	2	5	0	67	239.319	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49090349
• 49090350
  

  Analogs

  37819305

  

  37819306

  

  Popular Name: 2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(1S,2S)-2-methylcyclopropa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47415145

  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)	0.04	3.78	-48.53	3	5	1	68	240.327	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.04	2.17	-13.52	2	5	0	67	239.319	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49090350
• 49090351
  

  Analogs

  37819305

  

  37819306

  

  Popular Name: 2-[4-[(1R,2R)-2-methylcyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(1R,2R)-2-methylcyclopropa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47415145

  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)	0.04	3.78	-40.42	3	5	1	68	240.327	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.04	2.16	-11.6	2	5	0	67	239.319	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49090351
• 49090352
  

  Analogs

  37038376

  

  37038378

  

  Popular Name: 2-[4-[(1R,2S)-2-methylcyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(1R,2S)-2-methylcyclopropa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47415145

  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)	0.04	3.83	-39.64	3	5	1	68	240.327	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.04	2.2	-10.93	2	5	0	67	239.319	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49090352