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• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC12596596

• 12596596

Physical Representations

Activity (Go SEA)

• 31994577
  

  Analogs

  31994669

  

  12596596

  

  12596594

  

  Popular Name: 3-[[(5R)-3,7-diazaspiro[4.4]nonan-3-yl]methyl]phenol 3-[[(5R)-3,7-diazaspiro[4.4]nona…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39223386

  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)	1.36	3.94	-99.65	4	3	2	41	234.343	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.36	2.52	-38.59	3	3	1	37	233.335	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31994577
• 31994580
  

  Analogs

  31994669

  

  12596596

  

  12596594

  

  Popular Name: 3-[[(5S)-3,7-diazaspiro[4.4]nonan-3-yl]methyl]phenol 3-[[(5S)-3,7-diazaspiro[4.4]nona…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39223390

  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)	1.36	3.99	-97.52	4	3	2	41	234.343	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.36	2.56	-39.75	3	3	1	37	233.335	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31994580
• 55118730
  

  Analogs

  12596594

  

  12596596

  

  Popular Name: 3-[[(5R)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenol 3-[[(5R)-9-(m-tolylmethyl)-2,9-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20512061

  • Molport

    • MolPort-005-051-606

  • Mcule

    • MCULE-7689219503

  • Collaborative Drug Discovery

    • 501807

  • PubChem

    • 52382965

  And 4 More

  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)	3.70	9.16	-39.47	2	3	1	28	351.514	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.70	9.49	-41.45	2	3	1	28	351.514	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.70	7.04	-4.52	1	3	0	27	350.506	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55118730
• 55118732
  

  Analogs

  12596594

  

  12596596

  

  Popular Name: 3-[[(5S)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenol 3-[[(5S)-9-(m-tolylmethyl)-2,9-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20512061

  • Molport

    • MolPort-005-051-606

  • Mcule

    • MCULE-7689219503

  • Collaborative Drug Discovery

    • 501807

  • PubChem

    • 52382966

  And 4 More

  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)	3.70	9.16	-40.48	2	3	1	28	351.514	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.70	9.56	-39.28	2	3	1	28	351.514	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.70	7.1	-4.43	1	3	0	27	350.506	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55118732
• 12596594
  

  Analogs

  12596596

  

  31994577

  

  31994580

  

  55118730

  

  55118732

  

  Popular Name: 3-[[(5S)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenol 3-[[(5S)-9-(m-tolylmethyl)-2,9-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-005-051-606

  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)	3.70	11.61	-112.42	3	3	2	29	352.522	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12596594