User Information

• Synonyms (0)
• Vendors (2)
• Annotations (3)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC05585996

• 5585996

Physical Representations

Activity (Go SEA)

• 31319928
  

  Analogs

  31622946

  

  29126404

  

  16348213

  

  Popular Name: 3-ethyl-2-[(Z,3E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-5-methyl-1,3 3-ethyl-2-[(Z,3E)-3-(3-ethyl-5-m…

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  Vendors

  • ChemDB

    • 7606005

  • PubChem

    • 170613
    • 89329
    • 89330

  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)	3.92	15.66	-24.4	0	2	1	9	407.628	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31319928
• 31319931
  

  Analogs

  31622946

  

  29126404

  

  16348213

  

  Popular Name: 3-ethyl-2-[(E,3E)-3-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-5-methyl-1,3 3-ethyl-2-[(E,3E)-3-(3-ethyl-5-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7606005

  • PubChem

    • 170613
    • 89329
    • 89330
    • 50987328

  And 1 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)	3.92	15.61	-24.63	0	2	1	9	407.628	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31319931
• 31319935
  

  Analogs

  31622946

  

  29126404

  

  16348213

  

  Popular Name: 3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-5-methyl-1,3 3-ethyl-2-[(E,3Z)-3-(3-ethyl-5-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 7606005

  • PubChem

    • 170613
    • 89329
    • 89330
    • 5490245

  And 1 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)	3.92	16.09	-21.46	0	2	1	9	407.628	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31319935
• 34579483
  

  Analogs

  4750634

  

  Popular Name: (E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]pent-4 (E)-5-(3-ethyl-1,3-benzothiazol-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15539078

  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)	2.24	15.13	-48.71	0	4	0	49	436.602	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.24	15.13	-46.25	0	4	0	49	436.602	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.24	16	-46.88	0	4	0	49	436.602	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34579483
• 34825886
  

  Analogs

  1803987

  

  Popular Name: 3-ethyl-2-[(E)-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3,3,3-trifluoro-prop-1-enyl]-1,3-b 3-ethyl-2-[(E)-2-[(Z)-(3-ethyl-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15960756

  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)	3.38	14.74	-21.47	0	2	1	9	433.544	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34825886
• 34825887
  

  Analogs

  1803987

  

  Popular Name: 3-ethyl-2-[(Z)-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3,3,3-trifluoro-prop-1-enyl]-1,3-b 3-ethyl-2-[(Z)-2-[(Z)-(3-ethyl-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15960756
    • 24941667

  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)	3.38	14.79	-24.41	0	2	1	9	433.544	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34825887
• 34825888
  

  Analogs

  1803987

  

  Popular Name: 3-ethyl-2-[(E)-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3,3,3-trifluoro-prop-1-enyl]-1,3-b 3-ethyl-2-[(E)-2-[(E)-(3-ethyl-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15960756

  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)	3.38	14.42	-22.94	0	2	1	9	433.544	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34825888
• 34825889
  

  Analogs

  1803987

  

  Popular Name: 3-ethyl-2-[(Z)-2-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-3,3,3-trifluoro-prop-1-enyl]-1,3-b 3-ethyl-2-[(Z)-2-[(E)-(3-ethyl-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15960756
    • 21180051

  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)	3.38	14.26	-26.03	0	2	1	9	433.544	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34825889
• 38636180
  

  Analogs

  4531736

  

  Popular Name: 2-[2-[(Z,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-1,3-benzothiazol-3-ium-3-y 2-[2-[(Z,3Z)-3-(3-ethyl-1,3-benz…

  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
  Mid Mid (pH 6-8)	2.06	11.34	-23.3	1	3	1	29	395.573	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38636180
• 38636183
  

  Analogs

  4531736

  

  Popular Name: 2-[2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-1,3-benzothiazol-3-ium-3-y 2-[2-[(E,3Z)-3-(3-ethyl-1,3-benz…

  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)	2.06	11.32	-23.22	1	3	1	29	395.573	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.06	10.99	-26.12	1	3	1	29	395.573	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38636183