ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

35369833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromophenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-bromophenyl)-4-(4-fluoroben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.07	10.36	-15.13	1	5	0	53	478.387	2	↓ MOL2 SDF SMILES Flexibase

35369834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,4-dimethoxyphenyl)-4-(4-flu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.32	8.33	-14.26	1	7	0	71	459.543	4	↓ MOL2 SDF SMILES Flexibase

35369835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorobenzoyl)-N-(2-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorobenzoyl)-N-(2-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.29	8.95	-14.02	1	6	0	62	429.517	3	↓ MOL2 SDF SMILES Flexibase

35369836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-ethylphenyl)-4-(4-fluoroben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.17	11.18	-13.84	1	5	0	53	427.545	3	↓ MOL2 SDF SMILES Flexibase

35369837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-chlorophenyl)-4-(4-methoxyb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.85	9.5	-13.42	1	6	0	62	445.972	3	↓ MOL2 SDF SMILES Flexibase

35369838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-bromophenyl)-4-(4-methoxybe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.96	9.6	-12.41	1	6	0	62	490.423	3	↓ MOL2 SDF SMILES Flexibase

35369839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,3-dichlorophenyl)-4-(4-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.43	10.08	-11.59	1	6	0	62	480.417	3	↓ MOL2 SDF SMILES Flexibase

35369840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-cyanophenyl)-4-(4-methoxybe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.93	9.38	-15.45	1	7	0	86	436.537	3	↓ MOL2 SDF SMILES Flexibase

35369842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-4-(4-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-ethylphenyl)-4-(4-nitrobenz…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.99	11.83	-17.54	1	8	0	98	454.552	4	↓ MOL2 SDF SMILES Flexibase

35369856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(m-tolyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(m-tolyl)-4-[4-(trifluoromethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.44	11.35	-14.54	1	5	0	53	463.525	3	↓ MOL2 SDF SMILES Flexibase

35369857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxa N-(4-methylsulfanylphenyl)-4-[4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.45	11.69	-15.54	1	5	0	53	495.592	4	↓ MOL2 SDF SMILES Flexibase

35369858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(m-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(m-tolyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.17	10.84	-15.19	1	5	0	53	429.973	2	↓ MOL2 SDF SMILES Flexibase

35369859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(p-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(p-tolyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.20	10.85	-15.38	1	5	0	53	429.973	2	↓ MOL2 SDF SMILES Flexibase

35369860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(3-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(3-fluorop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.89	10.25	-14.64	1	5	0	53	433.936	2	↓ MOL2 SDF SMILES Flexibase

35369861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(4-isopropylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(4-isoprop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.26	12.1	-14.99	1	5	0	53	458.027	3	↓ MOL2 SDF SMILES Flexibase

35369862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(4-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.80	9.46	-16.34	1	6	0	62	445.972	3	↓ MOL2 SDF SMILES Flexibase

35369863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(4-methylsulfanylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(4-methyls…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.18	11.19	-15.89	1	5	0	53	462.04	3	↓ MOL2 SDF SMILES Flexibase

35369864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(3-ethylph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.64	11.61	-16.04	1	5	0	53	444	3	↓ MOL2 SDF SMILES Flexibase

35369865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(2-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(2-ethylph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.61	11.51	-14.72	1	5	0	53	444	3	↓ MOL2 SDF SMILES Flexibase

35369866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chlorobenzoyl)-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-chlorobenzoyl)-N-(2-ethoxyp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.13	10.28	-15.08	1	6	0	62	459.999	4	↓ MOL2 SDF SMILES Flexibase

35369868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(2-fluorophenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(2-flu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.52	10.55	-12.9	1	5	0	53	468.381	2	↓ MOL2 SDF SMILES Flexibase

35369869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(2-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(2-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.41	9.87	-14.65	1	6	0	62	480.417	3	↓ MOL2 SDF SMILES Flexibase

35369870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(o-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(o-tol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.80	11.25	-14.45	1	5	0	53	464.418	2	↓ MOL2 SDF SMILES Flexibase

35369871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(2,4-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.23	12.02	-14.61	1	5	0	53	478.445	2	↓ MOL2 SDF SMILES Flexibase

35369872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(3,4-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(3,4-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.23	11.92	-14.95	1	5	0	53	478.445	2	↓ MOL2 SDF SMILES Flexibase

35369873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(2,3-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(2,3-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.20	11.8	-14.69	1	5	0	53	478.445	2	↓ MOL2 SDF SMILES Flexibase

35369874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,4-dichlorobenzoyl)-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2,4-dichlorobenzoyl)-N-(2-eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.79	-14.38	1	6	0	62	494.444	4	↓ MOL2 SDF SMILES Flexibase

35369875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-nitrobenzoyl)-N-[2-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(3-nitrobenzoyl)-N-[2-(trifluo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.90	11.36	-19.22	1	8	0	98	494.495	4	↓ MOL2 SDF SMILES Flexibase

35369878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichlorophenyl)-4-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,6-dichlorophenyl)-4-(3-nitr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.31	11.64	-21.91	1	8	0	98	495.388	3	↓ MOL2 SDF SMILES Flexibase

35369886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-fluorobenzoyl)-N-(m-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-fluorobenzoyl)-N-(m-tolyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.66	10.4	-16.8	1	5	0	53	413.518	2	↓ MOL2 SDF SMILES Flexibase

35369887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,4-dichlorophenyl)-4-(2-fluo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.52	10.89	-14.44	1	5	0	53	468.381	2	↓ MOL2 SDF SMILES Flexibase

35369889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-fluorobenzoyl)-N-(3-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-fluorobenzoyl)-N-(3-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	9.02	-16.84	1	6	0	62	429.517	3	↓ MOL2 SDF SMILES Flexibase

35369890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-fluorobenzoyl)-N-(4-methoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-fluorobenzoyl)-N-(4-methoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.29	9.01	-17.93	1	6	0	62	429.517	3	↓ MOL2 SDF SMILES Flexibase

35369891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-fluorobenzoyl)-N-(4-methylsulfanylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-fluorobenzoyl)-N-(4-methyls…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.67	10.74	-17.44	1	5	0	53	445.585	3	↓ MOL2 SDF SMILES Flexibase

35369892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-ethylphenyl)-4-(2-fluoroben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.12	11.16	-17.84	1	5	0	53	427.545	3	↓ MOL2 SDF SMILES Flexibase

35369893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-chloro-4-fluoro-phenyl)-4-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.00	10.33	-15.53	1	5	0	53	451.926	2	↓ MOL2 SDF SMILES Flexibase

35369894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-4-(2-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2-ethoxyphenyl)-4-(2-fluorobe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.62	9.83	-16.75	1	6	0	62	443.544	4	↓ MOL2 SDF SMILES Flexibase

35369935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(4-chlorophenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(4-chl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.50	12.5	-12.12	1	5	0	53	472.054	3	↓ MOL2 SDF SMILES Flexibase

35369937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(4-methylsulfanylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(4-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.26	13.01	-14.03	1	5	0	53	483.703	4	↓ MOL2 SDF SMILES Flexibase

35369938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(o-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(o-tol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.22	12.56	-12.94	1	5	0	53	451.636	3	↓ MOL2 SDF SMILES Flexibase

35369939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(2,4-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(2,4-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.65	13.33	-13.22	1	5	0	53	465.663	3	↓ MOL2 SDF SMILES Flexibase

35369940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(2,3-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(2,3-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.62	13.1	-13.28	1	5	0	53	465.663	3	↓ MOL2 SDF SMILES Flexibase

35369941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(3,5-dimethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(3,5-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.86	10.59	-16.18	1	7	0	71	497.661	5	↓ MOL2 SDF SMILES Flexibase

35369942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-tert-butylbenzoyl)-N-(2-eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.21	12.1	-12.8	1	6	0	62	481.662	5	↓ MOL2 SDF SMILES Flexibase

35369944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-bromobenzoyl)-N-(m-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(3-bromobenzoyl)-N-(m-tolyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.33	10.96	-14.97	1	5	0	53	474.424	2	↓ MOL2 SDF SMILES Flexibase

35369946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-bromobenzoyl)-N-(2,6-dimethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(3-bromobenzoyl)-N-(2,6-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	11.97	-15.23	1	5	0	53	488.451	2	↓ MOL2 SDF SMILES Flexibase

35369947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-bromobenzoyl)-N-(o-tolyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(3-bromobenzoyl)-N-(o-tolyl)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.30	10.87	-15.41	1	5	0	53	474.424	2	↓ MOL2 SDF SMILES Flexibase

35369948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-bromobenzoyl)-N-(2-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(3-bromobenzoyl)-N-(2-ethylphe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.77	11.63	-15.01	1	5	0	53	488.451	3	↓ MOL2 SDF SMILES Flexibase

35370125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(2-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-chlorophenyl)-4-(2-methylbe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.20	10.87	-11.83	1	5	0	53	429.973	2	↓ MOL2 SDF SMILES Flexibase

35370126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methylbenzoyl)-N-phenyl-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(2-methylbenzoyl)-N-phenyl-1-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.52	10.36	-12.99	1	5	0	53	395.528	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16524
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 16524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=16524&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "16524"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations