User Information

• Synonyms (0)
• Vendors (3)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (24)

ZINC25047981

• 25047981

Physical Representations

Activity (Go SEA)

• 37013566
• 37013567
• 37013568
• 37044255
• 37044256
• 37044257
• 37044258
• 37044259
• 37044260
• 37044261
• 37044262
  

  Analogs

  25047964

  

  Popular Name: 3-amino-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 3-amino-N-[(1S,2R)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712725

  • Enamine BB Make on Demand

    • BBV-27186418

  • UORSY BB Make-on-demand

    • BBV-27186418

  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)	2.88	6.07	-9.25	3	3	0	55	286.297	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044262
• 37044263
  

  Analogs

  12809373

  

  Popular Name: 4-amino-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzamide 4-amino-N-[(1R,2S)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712726

  • Enamine BB Make on Demand

    • BBV-27186419

  • UORSY BB Make-on-demand

    • BBV-27186419

  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)	2.90	6.07	-9.64	3	3	0	55	286.297	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044263
• 37044264
  

  Analogs

  12809373

  

  Popular Name: 4-amino-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzamide 4-amino-N-[(1S,2S)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712726

  • Enamine BB Make on Demand

    • BBV-27186419

  • UORSY BB Make-on-demand

    • BBV-27186419

  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)	2.90	5.63	-10.01	3	3	0	55	286.297	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044264
• 37044265
  

  Analogs

  12809373

  

  Popular Name: 4-amino-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 4-amino-N-[(1R,2R)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712726

  • Enamine BB Make on Demand

    • BBV-27186419

  • UORSY BB Make-on-demand

    • BBV-27186419

  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)	2.90	5.63	-10.01	3	3	0	55	286.297	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044265
• 37044266
  

  Analogs

  12809373

  

  Popular Name: 4-amino-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 4-amino-N-[(1S,2R)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712726

  • Enamine BB Make on Demand

    • BBV-27186419

  • UORSY BB Make-on-demand

    • BBV-27186419

  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)	2.90	6.07	-9.64	3	3	0	55	286.297	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044266
• 37044290
  

  Analogs

  25047964

  

  Popular Name: 3-amino-4-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzamide 3-amino-4-methyl-N-[(1R,2S)-2-(t…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712734

  • Enamine BB Make on Demand

    • BBV-27186427

  • UORSY BB Make-on-demand

    • BBV-27186427

  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)	3.69	6.83	-9.28	3	3	0	55	300.324	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044290
• 37044292
  

  Analogs

  25047964

  

  Popular Name: 3-amino-4-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 3-amino-4-methyl-N-[(1R,2R)-2-(t…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712734

  • Enamine BB Make on Demand

    • BBV-27186427

  • UORSY BB Make-on-demand

    • BBV-27186427

  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)	3.69	6.38	-9.61	3	3	0	55	300.324	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044292
• 37044293
  

  Analogs

  25047964

  

  Popular Name: 3-amino-4-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 3-amino-4-methyl-N-[(1S,2R)-2-(t…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43712734

  • Enamine BB Make on Demand

    • BBV-27186427

  • UORSY BB Make-on-demand

    • BBV-27186427

  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)	3.69	6.83	-9.28	3	3	0	55	300.324	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37044293
• 37099684
  

  Analogs

  25047964

  

  Popular Name: 4-[[[(1R,2S)-2-(trifluoromethyl)cyclohexyl]amino]methyl]benzonitrile 4-[[[(1R,2S)-2-(trifluoromethyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43730666

  • Enamine BB Make on Demand

    • BBV-27204508

  • UORSY BB Make-on-demand

    • BBV-27204508

  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)	3.95	9.35	-47.53	2	2	1	40	283.317	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.95	8.47	-5.4	1	2	0	36	282.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37099684
• 37099685
  

  Analogs

  25047964

  

  Popular Name: 4-[[[(1S,2S)-2-(trifluoromethyl)cyclohexyl]amino]methyl]benzonitrile 4-[[[(1S,2S)-2-(trifluoromethyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43730666

  • Enamine BB Make on Demand

    • BBV-27204508

  • UORSY BB Make-on-demand

    • BBV-27204508

  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)	3.95	9.12	-49.4	2	2	1	40	283.317	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.95	8.49	-6.5	1	2	0	36	282.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37099685
• 37099686
  

  Analogs

  25047964

  

  Popular Name: 4-[[[(1R,2R)-2-(trifluoromethyl)cyclohexyl]amino]methyl]benzonitrile 4-[[[(1R,2R)-2-(trifluoromethyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43730666

  • Enamine BB Make on Demand

    • BBV-27204508

  • UORSY BB Make-on-demand

    • BBV-27204508

  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)	3.95	9.12	-49.43	2	2	1	40	283.317	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.95	7.85	-5.37	1	2	0	36	282.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37099686
• 25047975
  

  Analogs

  25047981

  

  37013566

  

  37013567

  

  37013568

  

  37044255

  

  Popular Name: 4-cyano-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 4-cyano-N-[(1R,2R)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-005-685-094

  • Enamine

    • Z272350050

  • PubChem

    • 24241929
    • 32358199

  • Ambinter

    • Amb6588977

  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)	3.58	8.13	-11.99	1	3	0	53	296.292	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25047975
• 25047969
  

  Analogs

  25047975

  

  25047981

  

  37013566

  

  37013567

  

  37013568

  

  Popular Name: 4-cyano-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]benzamide 4-cyano-N-[(1S,2S)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-005-685-094

  • Enamine

    • Z272350050

  • PubChem

    • 24241929
    • 32358192

  • Ambinter

    • Amb6588977

  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)	3.58	8.13	-12	1	3	0	53	296.292	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25047969
• 25047964
  

  Analogs

  25047969

  

  25047975

  

  25047981

  

  37013566

  

  37013567

  

  Popular Name: 4-cyano-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]benzamide 4-cyano-N-[(1S,2R)-2-(trifluorom…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-005-685-094

  • Enamine

    • Z272350050

  • PubChem

    • 24241929
    • 32358185

  • Ambinter

    • Amb6588977

  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)	3.58	8.58	-11.07	1	3	0	53	296.292	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC25047964