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• Vendors (0)
• Annotations (0)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (20)

ZINC12289270

• 12289270

Physical Representations

Activity (Go SEA)

• 37847372
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-3-[(1S,2R)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(1S)-2-methoxy-1-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632360

  • Enamine BB Make on Demand

    • BBV-32179249

  • UORSY BB Make-on-demand

    • BBV-32179249

  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)	1.90	3.24	-37.01	3	4	1	55	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.90	2.01	-4.53	2	4	0	51	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847372
• 37847373
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-3-[(1S,2S)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(1S)-2-methoxy-1-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632360

  • Enamine BB Make on Demand

    • BBV-32179249

  • UORSY BB Make-on-demand

    • BBV-32179249

  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)	1.90	3.1	-37.21	3	4	1	55	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.90	1.87	-4.74	2	4	0	51	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847373
• 37847374
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-3-[(1R,2R)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(1S)-2-methoxy-1-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632360

  • Enamine BB Make on Demand

    • BBV-32179249

  • UORSY BB Make-on-demand

    • BBV-32179249

  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)	1.90	3.1	-37.33	3	4	1	55	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.90	1.87	-4.74	2	4	0	51	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847374
• 37847375
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-3-[(1R,2S)-2-methylcyclohexoxy]propan-2-ol (2R)-1-[[(1S)-2-methoxy-1-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632360

  • Enamine BB Make on Demand

    • BBV-32179249

  • UORSY BB Make-on-demand

    • BBV-32179249

  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)	1.90	3.24	-36.97	3	4	1	55	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.90	2.01	-4.47	2	4	0	51	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847375
• 37847570
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[(1S,2R)-2-ethylcyclohexoxy]-3-[[(1S)-2-methoxy-1-methyl-ethyl]amino]propan-2-ol (2R)-1-[(1S,2R)-2-ethylcyclohexo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632406

  • Enamine BB Make on Demand

    • BBV-32179304

  • UORSY BB Make-on-demand

    • BBV-32179304

  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)	2.40	3.87	-36.92	3	4	1	55	274.425	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.40	2.64	-4.44	2	4	0	51	273.417	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847570
• 37847571
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[(1S,2S)-2-ethylcyclohexoxy]-3-[[(1S)-2-methoxy-1-methyl-ethyl]amino]propan-2-ol (2R)-1-[(1S,2S)-2-ethylcyclohexo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632406

  • Enamine BB Make on Demand

    • BBV-32179304

  • UORSY BB Make-on-demand

    • BBV-32179304

  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)	2.40	3.75	-37.21	3	4	1	55	274.425	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.40	2.51	-4.63	2	4	0	51	273.417	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847571
• 37847572
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[(1R,2R)-2-ethylcyclohexoxy]-3-[[(1S)-2-methoxy-1-methyl-ethyl]amino]propan-2-ol (2R)-1-[(1R,2R)-2-ethylcyclohexo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632406

  • Enamine BB Make on Demand

    • BBV-32179304

  • UORSY BB Make-on-demand

    • BBV-32179304

  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)	2.40	3.74	-37.39	3	4	1	55	274.425	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.40	2.51	-4.7	2	4	0	51	273.417	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847572
• 37847573
  

  Analogs

  38637207

  

  38637210

  

  12289268

  

  9970752

  

  9970751

  

  Popular Name: (2R)-1-[(1R,2S)-2-ethylcyclohexoxy]-3-[[(1S)-2-methoxy-1-methyl-ethyl]amino]propan-2-ol (2R)-1-[(1R,2S)-2-ethylcyclohexo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60632406

  • Enamine BB Make on Demand

    • BBV-32179304

  • UORSY BB Make-on-demand

    • BBV-32179304

  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)	2.40	3.87	-37	3	4	1	55	274.425	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.40	2.64	-4.39	2	4	0	51	273.417	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37847573
• 37851383
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2S)-2-[[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclohexoxy]propyl]amino]butan-1-ol (2S)-2-[[(2S)-2-hydroxy-3-[(1R,2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60633964

  • Enamine BB Make on Demand

    • BBV-32180989

  • UORSY BB Make-on-demand

    • BBV-32180989

  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)	1.82	1.7	-36.61	4	4	1	66	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.82	0.68	-5.1	3	4	0	62	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851383
• 37851384
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2R)-2-[[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclohexoxy]propyl]amino]butan-1-ol (2R)-2-[[(2S)-2-hydroxy-3-[(1R,2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60633964

  • Enamine BB Make on Demand

    • BBV-32180989

  • UORSY BB Make-on-demand

    • BBV-32180989

  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)	1.82	1.69	-36.53	4	4	1	66	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.82	0.42	-5.73	3	4	0	62	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851384
• 37851385
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2S)-2-[[(2R)-2-hydroxy-3-[(1R,2S)-2-methylcyclohexoxy]propyl]amino]butan-1-ol (2S)-2-[[(2R)-2-hydroxy-3-[(1R,2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60633964

  • Enamine BB Make on Demand

    • BBV-32180989

  • UORSY BB Make-on-demand

    • BBV-32180989

  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)	1.82	1.66	-36.6	4	4	1	66	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.82	0.57	-5.15	3	4	0	62	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851385
• 37851386
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2R)-2-[[(2R)-2-hydroxy-3-[(1R,2S)-2-methylcyclohexoxy]propyl]amino]butan-1-ol (2R)-2-[[(2R)-2-hydroxy-3-[(1R,2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60633964

  • Enamine BB Make on Demand

    • BBV-32180989

  • UORSY BB Make-on-demand

    • BBV-32180989

  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)	1.82	1.66	-36.76	4	4	1	66	260.398	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.82	0.31	-5.69	3	4	0	62	259.39	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851386
• 37851541
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2S)-2-[[(2R)-3-[(1S,2R)-2-ethylcyclohexoxy]-2-hydroxy-propyl]amino]butan-1-ol (2S)-2-[[(2R)-3-[(1S,2R)-2-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60634012

  • Enamine BB Make on Demand

    • BBV-32181044

  • UORSY BB Make-on-demand

    • BBV-32181044

  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	2.3	-36.53	4	4	1	66	274.425	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851541
• 37851542
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2S)-2-[[(2R)-3-[(1S,2S)-2-ethylcyclohexoxy]-2-hydroxy-propyl]amino]butan-1-ol (2S)-2-[[(2R)-3-[(1S,2S)-2-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60634012

  • Enamine BB Make on Demand

    • BBV-32181044

  • UORSY BB Make-on-demand

    • BBV-32181044

  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	2.16	-36.75	4	4	1	66	274.425	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851542
• 37851543
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2S)-2-[[(2R)-3-[(1R,2R)-2-ethylcyclohexoxy]-2-hydroxy-propyl]amino]butan-1-ol (2S)-2-[[(2R)-3-[(1R,2R)-2-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60634012

  • Enamine BB Make on Demand

    • BBV-32181044

  • UORSY BB Make-on-demand

    • BBV-32181044

  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	2.16	-36.81	4	4	1	66	274.425	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851543
• 37851544
  

  Analogs

  26781242

  

  26781240

  

  Popular Name: (2S)-2-[[(2R)-3-[(1R,2S)-2-ethylcyclohexoxy]-2-hydroxy-propyl]amino]butan-1-ol (2S)-2-[[(2R)-3-[(1R,2S)-2-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60634012

  • Enamine BB Make on Demand

    • BBV-32181044

  • UORSY BB Make-on-demand

    • BBV-32181044

  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	2.3	-36.57	4	4	1	66	274.425	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37851544
• 38637207
  

  Analogs

  38637210

  

  37847573

  

  37847572

  

  Popular Name: 2-[[(2R)-2-hydroxy-3-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]oxy-propyl]amino]-2-methyl-propan-1-o 2-[[(2R)-2-hydroxy-3-[(1S,2R,4S)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00400012

  • Mcule

    • MCULE-5424059786

  • Princeton BioMolecular Research

    • OSSL_379595

  • TimTec

    • ST45271986

  • PubChem

    • 18593503

  And 3 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)	2.28	2.22	-38.08	4	4	1	66	300.463	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38637207
• 38637210
  

  Analogs

  37847573

  

  37847572

  

  Popular Name: 2-[[(2R)-2-hydroxy-3-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]oxy-propyl]amino]-2-methyl-propan-1-o 2-[[(2R)-2-hydroxy-3-[(1R,2R,4R)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00400012

  • Mcule

    • MCULE-5424059786

  • Princeton BioMolecular Research

    • OSSL_379595

  • TimTec

    • ST45271986

  • PubChem

    • 51471284

  And 3 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)	2.28	2.42	-38.05	4	4	1	66	300.463	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38637210
• 9970751
  

  Analogs

  9970752

  

  12289268

  

  12289269

  

  12289270

  

  37847372

  

  Popular Name: 2-[2-hydroxy-3-(1,7,7-trimethylnorbornan-2-yl)oxy-propyl]amino-2-methyl-propan-1-ol 2-[2-hydroxy-3-(1,7,7-trimethyln…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  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)	2.28	-4.1	-38.14	4	4	1	66	300.463	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09970751
• 9970752
  

  Analogs

  12289268

  

  12289269

  

  12289270

  

  37847372

  

  37847373

  

  Popular Name: 2-[2-hydroxy-3-(1,7,7-trimethylnorbornan-2-yl)oxy-propyl]amino-2-methyl-propan-1-ol 2-[2-hydroxy-3-(1,7,7-trimethyln…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  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)	2.28	-3.94	-38.19	4	4	1	66	300.463	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09970752