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Quick Search ZINC ID or SMILES

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

ZINC16567681

16567681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since	Heavy atoms	Benign functionality
August 31^st, 2008	33	Yes

Popular Name: N-[(1R)-1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]-3-fluoro-benzamid N-[(1R)-1-[5-benzylsulfanyl-4-(5…

Find On: PubMed — Wikipedia — Google

SMILES:

Download: MOL2 SDF SMILES Flexibase

Annotations

ChemDB
- 5975054
PubChem
- 4520777

Vendors

None

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.12	15.28	-9.79	1	5	0	60	480.996	7	↓ MOL2 SDF SMILES Flexibase

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

Zinc Item 9264885

Zinc Item 9264885

Analogs

16567633
16567634
16567649
16567650
16567651

Popular Name: 2-fluoro-N-[1-[5-(m-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[1-[5-(m-tolylmethyls…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	1.7	-13.55	1	5	0	59	446.551	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09264885

Zinc Item 9264881

Zinc Item 9264881

Analogs

16567633
16567634
16567649
16567650
16567651

Popular Name: 2-fluoro-N-[1-[5-(m-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[1-[5-(m-tolylmethyls…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.04	1.7	-13.5	1	5	0	59	446.551	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09264881

Zinc Item 9426779

Zinc Item 9426779

Analogs

16567605
16567606
16567619
16567620
16567625

Popular Name: 2-fluoro-N-[1-[4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[1-[4-phenyl-5-(p-tol…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	1.7	-13.54	1	5	0	59	446.551	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09426779

Zinc Item 9426780

Zinc Item 9426780

Analogs

16567605
16567606
16567619
16567620
16567625

Popular Name: 2-fluoro-N-[1-[4-phenyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[1-[4-phenyl-5-(p-tol…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	1.7	-13.54	1	5	0	59	446.551	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09426780

Zinc Item 9668981

Zinc Item 9668981

Analogs

16567627
16567628
16567681
16567682
16568385

Popular Name: 2-fluoro-N-[1-[5-(o-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[1-[5-(o-tolylmethyls…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	1.63	-13.52	1	5	0	59	446.551	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09668981

Zinc Item 9668980

Zinc Item 9668980

Analogs

9668981
16567627
16567628
16567681
16567682

Popular Name: 2-fluoro-N-[1-[5-(o-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide 2-fluoro-N-[1-[5-(o-tolylmethyls…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	1.63	-13.52	1	5	0	59	446.551	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09668980

Zinc Item 4059328

Zinc Item 4059328

Analogs

16567681
16567682
16568710
33763147
39708516

Popular Name: N-[[5-butylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide N-[[5-butylsulfanyl-4-(3-chlorop…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.79	0.81	-9.96	1	5	0	59	418.925	8	↓ MOL2 SDF SMILES Flexibase

More about ZINC04059328

Zinc Item 9668978

Zinc Item 9668978

Analogs

9668979
16567599
16567600
16567605
16567606

Popular Name: N-[1-[5-(o-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide N-[1-[5-(o-tolylmethylsulfanyl)-…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	0.97	-11.18	1	5	0	59	428.561	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09668978

Zinc Item 9668979

Zinc Item 9668979

Analogs

16567599
16567600
16567605
16567606
16567611

Popular Name: N-[1-[5-(o-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]ethyl]benzamide N-[1-[5-(o-tolylmethylsulfanyl)-…

Find On: PubMed — Wikipedia — Google

Vendors

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.90	0.97	-11.13	1	5	0	59	428.561	7	↓ MOL2 SDF SMILES Flexibase

More about ZINC09668979

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