User Information

• Synonyms (0)
• Vendors (8)
• Annotations (5)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC01926999

• 1926999

Physical Representations

Activity (Go SEA)

• 40188052
  

  Analogs

  200780

  

  Popular Name: N-[(1S)-1-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]ethyl]acetamide N-[(1S)-1-[1-[3-(azepan-1-yl)-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00542168

  • PubChem

    • 16968227

  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)	2.12	8.71	-12.92	1	6	0	67	356.47	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.12	9.24	-36.02	2	6	1	68	357.478	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40188052
• 40188053
  

  Analogs

  200780

  

  Popular Name: N-[(1R)-1-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]ethyl]acetamide N-[(1R)-1-[1-[3-(azepan-1-yl)-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00542168

  • PubChem

    • 16968227

  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)	2.12	8.74	-12.31	1	6	0	67	356.47	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.12	9.3	-34.9	2	6	1	68	357.478	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40188053
• 40190952
  

  Analogs

  1926999

  

  Popular Name: N-[(1S)-1-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]ethyl]prop-2-enamide N-[(1S)-1-[1-[3-(azepan-1-yl)-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00544112

  • PubChem

    • 16970087

  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)	2.72	9.26	-12.86	1	6	0	67	368.481	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.72	9.78	-35.65	2	6	1	68	369.489	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40190952
• 40190953
  

  Analogs

  1926999

  

  Popular Name: N-[(1R)-1-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]ethyl]prop-2-enamide N-[(1R)-1-[1-[3-(azepan-1-yl)-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00544112

  • PubChem

    • 16970087

  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)	2.72	9.29	-12.14	1	6	0	67	368.481	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.72	9.84	-34.34	2	6	1	68	369.489	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40190953