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

4890517

Analogs

4890551
4891559
9599128
9599129

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(8-methyl-3-phenyl-1,4-diazas…

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)	5.14	-4.08	-9.22	1	4	0	53	405.567	5	↓ MOL2 SDF SMILES Flexibase

4890528

Analogs

4891543

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-ethylphenyl)-2-[(3-phenyl-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)	5.83	-4.27	-9.38	1	4	0	53	405.567	6	↓ MOL2 SDF SMILES Flexibase

4890545

Analogs

4891439

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide N-phenyl-2-[(2-phenyl-1,4-diazas…

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)	4.92	-4.77	-9.4	1	4	0	53	377.513	5	↓ MOL2 SDF SMILES Flexibase

4890551

Analogs

4891408
9599128
9599129
9599247
4890517

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]-N-phenyl-acetamide 2-[(8-methyl-3-phenyl-1,4-diazas…

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)	4.69	-4.39	-9.4	1	4	0	53	391.54	5	↓ MOL2 SDF SMILES Flexibase

4890665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

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)	5.53	-3.69	-8.68	1	4	0	53	409.53	5	↓ MOL2 SDF SMILES Flexibase

4890699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

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)	5.51	-3.69	-8.61	1	4	0	53	409.53	5	↓ MOL2 SDF SMILES Flexibase

4890727

Analogs

4891478

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-methoxyphenyl)-2-[(3-phenyl…

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)	4.98	-4.74	-11.08	1	5	0	63	407.539	6	↓ MOL2 SDF SMILES Flexibase

4890757

Analogs

4891458

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(2-phenyl-…

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)	5.08	-4.03	-9.71	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890788

Analogs

4890832

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[2-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[2-(3-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)	5.22	-3.28	-10.37	1	4	0	53	413.493	5	↓ MOL2 SDF SMILES Flexibase

4890815

Analogs

4890840

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[2-(4-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)	5.25	-3.28	-9.24	1	4	0	53	413.493	5	↓ MOL2 SDF SMILES Flexibase

4890829

Analogs

4891454
9599196
9599269

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(8-methyl-…

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	-3.65	-9.75	1	4	0	53	409.53	5	↓ MOL2 SDF SMILES Flexibase

4890832

Analogs

4890788

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-phenyl-acetamide 2-[[3-(3-fluorophenyl)-1,4-diaza…

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)	5.06	-4.01	-9.97	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890840

Analogs

4890815

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-phenyl-acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

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)	5.08	-4.02	-8.73	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890846

Analogs

9599159
9599197

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-chlorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-phenyl-acetamide 2-[[3-(4-chlorophenyl)-1,4-diaza…

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)	5.60	-4.9	-8.4	1	4	0	53	411.958	5	↓ MOL2 SDF SMILES Flexibase

4890868

Analogs

4891506

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(3,4-dimethylphenyl)-2-[(3-phe…

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)	5.75	-4.14	-9.68	1	4	0	53	405.567	5	↓ MOL2 SDF SMILES Flexibase

4890913

Analogs

6818761

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide N-(2,4-difluorophenyl)-2-[(2-phe…

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)	5.18	-3.24	-7.23	1	4	0	53	413.493	5	↓ MOL2 SDF SMILES Flexibase

4890925

Analogs

4890921

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide N-(3-fluorophenyl)-2-[(2-phenyl-…

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)	5.06	-4.01	-11.75	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[(3-phe…

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)	5.75	-3.85	-9.58	1	4	0	53	405.567	5	↓ MOL2 SDF SMILES Flexibase

65330847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzylsulfanyl-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-benzylsulfanyl-3-(2-thienyl)-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)	5.61	8.69	-5.45	0	2	0	25	340.517	4	↓ MOL2 SDF SMILES Flexibase

65330849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-[(2-chlorophenyl)methylsulfany…

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)	6.24	9.12	-6.34	0	2	0	25	374.962	4	↓ MOL2 SDF SMILES Flexibase

65330850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methylsulfanyl]-2-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 3-[(4-chlorophenyl)methylsulfany…

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)	6.29	9.22	-5.32	0	2	0	25	374.962	4	↓ MOL2 SDF SMILES Flexibase

65330851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-[(2,4-dimethylphenyl)methylsul…

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)	6.44	9.89	-5.38	0	2	0	25	368.571	4	↓ MOL2 SDF SMILES Flexibase

65330852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-[(2-fluorophenyl)methylsulfany…

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)	5.73	8.72	-7.07	0	2	0	25	358.507	4	↓ MOL2 SDF SMILES Flexibase

65330853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-[(2-chloro-6-fluoro-phenyl)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)	6.36	9.16	-7.24	0	2	0	25	392.952	4	↓ MOL2 SDF SMILES Flexibase

65330854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Methyl-benzylsulfanyl)-3-thiophen-2-yl-1,4-diaza-spiro[4.5]deca-1,3-diene 2-(4-Methyl-benzylsulfanyl)-3-th…

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)	6.06	9.37	-5.46	0	2	0	25	354.544	4	↓ MOL2 SDF SMILES Flexibase

65330855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methylsulfanyl]-2-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 3-[(4-fluorophenyl)methylsulfany…

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)	5.78	8.76	-5.85	0	2	0	25	358.507	4	↓ MOL2 SDF SMILES Flexibase

65330856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 3-[(2-chloro-4-fluoro-phenyl)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)	6.38	9.19	-5.92	0	2	0	25	392.952	4	↓ MOL2 SDF SMILES Flexibase

65330857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolylmethylsulfanyl)-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-(m-tolylmethylsulfanyl)-3-(2-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)	6.04	9.35	-5.37	0	2	0	25	354.544	4	↓ MOL2 SDF SMILES Flexibase

65330858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-(2-thienyl)-1,4-diazaspiro[4.5]deca-1,3-diene 2-[(3-methoxyphenyl)methylsulfan…

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)	5.64	7.99	-6.87	0	3	0	34	370.543	5	↓ MOL2 SDF SMILES Flexibase

67172363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-butoxyphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(4-butoxyphenyl)-1,4-diazaspir…

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)	5.41	7.62	-6.3	1	3	0	36	316.47	5	↓ MOL2 SDF SMILES Flexibase

67172379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-butoxyphenyl)-8-methyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(4-butoxyphenyl)-8-methyl-1,4-…

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)	5.18	8.23	-6.21	1	3	0	36	330.497	5	↓ MOL2 SDF SMILES Flexibase

67172543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Thiophen-2-yl-1,4-diaza-spiro[4.5]dec-3-ene-2-thione 3-Thiophen-2-yl-1,4-diaza-spiro[…

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)	3.81	4.88	-6.61	1	2	0	26	250.392	1	↓ MOL2 SDF SMILES Flexibase

67172574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-tert-butylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(4-tert-butylphenyl)-1,4-diaza…

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	8.12	-5.93	1	2	0	26	300.471	2	↓ MOL2 SDF SMILES Flexibase

67172579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione 3-(3-chlorophenyl)-1,4-diazaspir…

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)	4.57	6.32	-7.05	1	2	0	26	278.808	1	↓ MOL2 SDF SMILES Flexibase

67240498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-tert-butylphenyl)-8-methyl-1,4-diazaspiro[4.5]dec-1-ene-3-thione 2-(4-tert-butylphenyl)-8-methyl-…

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)	5.39	8.73	-5.8	1	2	0	26	314.498	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 249697
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 = 249697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=249697&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": "249697"        

    });
</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