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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC43904084

• 43904084

Physical Representations

Activity (Go SEA)

• 34995844
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (2R,4aS,8aR)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]decalin-2-amine (2R,4aS,8aR)-N-[[(2S)-1-ethylpyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43223251

  • UORSY BB Make-on-demand

    • BBV-27103728

  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)	3.71	8.14	-35.69	2	2	1	20	265.465	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.71	8.76	-29.4	2	2	1	16	265.465	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.71	9.94	-116.87	3	2	2	21	266.473	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34995844
• 34995843
  

  Analogs

  34995844

  

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  Popular Name: (2R,4aS,8aR)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]decalin-2-amine (2R,4aS,8aR)-N-[[(2R)-1-ethylpyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43223251

  • UORSY BB Make-on-demand

    • BBV-27103728

  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)	3.71	8.11	-35.84	2	2	1	20	265.465	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.71	8.81	-28.15	2	2	1	16	265.465	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.71	9.91	-117.15	3	2	2	21	266.473	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34995843
• 36858981
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (1R,5R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,3,5-trimethyl-cyclohexanamine (1R,5R)-N-[[(2R)-1-ethylpyrrolid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43079814

  • UORSY BB Make-on-demand

    • BBR-030847

  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)	3.46	7.63	-34.82	2	2	1	20	253.454	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.46	8.32	-27.63	2	2	1	16	253.454	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.46	9.42	-114.89	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36858981
• 20565796
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (1R,5S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,3,5-trimethyl-cyclohexan-1-amine (1R,5S)-N-[[(2R)-1-ethylpyrrolid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29052938

  • UORSY BB Make-on-demand

    • BBR-030847

  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)	3.46	9.61	-118.84	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.46	7.42	-36.41	2	2	1	20	253.454	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20565796
• 20565797
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (1R,5S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,3,5-trimethyl-cyclohexan-1-amine (1R,5S)-N-[[(2S)-1-ethylpyrrolid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29052940

  • UORSY BB Make-on-demand

    • BBR-030847

  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)	3.46	9.08	-115.53	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.46	6.73	-36.02	2	2	1	20	253.454	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20565797
• 37021646
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-cyclohexanamine (1R,3S)-N-[[(2S)-1-ethylpyrrolid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43179042

  • Enamine BB Make on Demand

    • BBV-135045

  • UORSY BB Make-on-demand

    • BBV-135045

  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)	2.81	6.76	-33.68	2	2	1	20	225.4	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.81	7.4	-28.84	2	2	1	16	225.4	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.81	8.58	-111.95	3	2	2	21	226.408	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37021646
• 37021645
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (1R,3S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-cyclohexanamine (1R,3S)-N-[[(2R)-1-ethylpyrrolid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43179042

  • Enamine BB Make on Demand

    • BBV-135045

  • UORSY BB Make-on-demand

    • BBV-135045

  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)	2.81	6.75	-33.88	2	2	1	20	225.4	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.81	7.45	-27.35	2	2	1	16	225.4	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.81	8.55	-111.97	3	2	2	21	226.408	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37021645
• 36858982
  

  Analogs

  43902364

  

  43902368

  

  43902372

  

  43902375

  

  43902401

  

  Popular Name: (1R,5R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,3,5-trimethyl-cyclohexanamine (1R,5R)-N-[[(2S)-1-ethylpyrrolid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43079814

  • UORSY BB Make-on-demand

    • BBR-030847

  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)	3.46	7.65	-34.62	2	2	1	20	253.454	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.46	8.27	-29.1	2	2	1	16	253.454	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.46	9.45	-114.69	3	2	2	21	254.462	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36858982
• 22149542
  

  Analogs

  43899509

  

  43899512

  

  43899514

  

  43899517

  

  43902364

  

  Popular Name: (2R)-N-(4-ethylcyclohexyl)-N',N',4-trimethyl-pentane-1,2-diamine (2R)-N-(4-ethylcyclohexyl)-N',N'…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43111548

  • UORSY BB Make-on-demand

    • BBR-062864

  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)	4.13	8.23	-34.42	2	2	1	20	255.47	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.13	10.31	-121.4	3	2	2	21	256.478	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22149542