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

ZINC36785172

• 36785172

Physical Representations

Activity (Go SEA)

• 42581989
  

  Analogs

  42581991

  

  69237979

  

  69237980

  

  70505016

  

  70505017

  

  Popular Name: (1S,2R)-N2-(cyclopropylmethyl)-N2-isopropyl-indane-1,2-diamine (1S,2R)-N2-(cyclopropylmethyl)-N…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33229171

  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)	0.98	8.24	-119.27	4	2	2	32	246.398	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.98	6.32	-1.26	2	2	0	29	244.382	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.98	7.92	-31.48	3	2	1	30	245.39	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42581989
• 42581991
  

  Analogs

  69237979

  

  69237980

  

  70505016

  

  70505017

  

  42581989

  

  Popular Name: (1S,2S)-N2-(cyclopropylmethyl)-N2-isopropyl-indane-1,2-diamine (1S,2S)-N2-(cyclopropylmethyl)-N…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33229171

  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)	0.98	7.46	-117.02	4	2	2	32	246.398	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.98	5.34	-2.51	2	2	0	29	244.382	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.98	7.18	-31.02	3	2	1	30	245.39	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42581991
• 23066315
  

  Analogs

  34234113

  

  36170946

  

  36170947

  

  36170948

  

  36170949

  

  Popular Name: (1R,2S)-2-(4-propylpiperazin-1-yl)indan-1-amine (1R,2S)-2-(4-propylpiperazin-1-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30813603
    • 16784284

  • Enamine BB Make on Demand

    • BBV-32840794

  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)	0.21	6.45	-102.59	4	3	2	35	261.413	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.21	3.88	-1.76	2	3	0	32	259.397	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.21	4.12	-40.42	3	3	1	34	260.405	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23066315