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

38567993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-phenyl-1-o…

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)	2.92	6.01	-14.93	1	7	0	79	401.488	3	↓ MOL2 SDF SMILES Flexibase

38567999

Analogs

38633650

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(o-tolyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(o-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)	3.32	6.56	-14.66	1	7	0	79	415.515	3	↓ MOL2 SDF SMILES Flexibase

38568000

Analogs

38568012
38568014
38633652
38633671

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(m-tolyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-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)	3.35	6.68	-14.88	1	7	0	79	415.515	3	↓ MOL2 SDF SMILES Flexibase

38568002

Analogs

38633641
38633656

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(p-tolyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-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)	3.37	6.69	-15	1	7	0	79	415.515	3	↓ MOL2 SDF SMILES Flexibase

38568004

Analogs

38568244
38568251

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(4-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)	3.09	5.95	-14.98	1	7	0	79	419.478	3	↓ MOL2 SDF SMILES Flexibase

38568007

Analogs

38568252

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2-fluorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(2-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)	3.04	5.85	-13.35	1	7	0	79	419.478	3	↓ MOL2 SDF SMILES Flexibase

38568012

Analogs

38633669
38568000

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3,4-dimethylphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3,4-dimet…

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)	3.75	7.24	-15.18	1	7	0	79	429.542	3	↓ MOL2 SDF SMILES Flexibase

38568014

Analogs

38633652
38633671
38568000

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3,5-dimethylphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3,5-dimet…

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)	3.75	7.31	-15.04	1	7	0	79	429.542	3	↓ MOL2 SDF SMILES Flexibase

38568016

Analogs

38568050

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3-methoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-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)	2.95	5.31	-15.2	1	8	0	88	431.514	4	↓ MOL2 SDF SMILES Flexibase

38568019

Analogs

38568035
38634149

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(4-methoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-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)	2.98	5.31	-16.07	1	8	0	88	431.514	4	↓ MOL2 SDF SMILES Flexibase

38568021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2-methoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-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)	2.93	5.17	-14.94	1	8	0	88	431.514	4	↓ MOL2 SDF SMILES Flexibase

38568024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(4-chlorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(4-chlorop…

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)	3.60	6.4	-14.42	1	7	0	79	435.933	3	↓ MOL2 SDF SMILES Flexibase

38568025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3-chlorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3-chlorop…

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)	3.58	6.4	-13.64	1	7	0	79	435.933	3	↓ MOL2 SDF SMILES Flexibase

38568026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2-chlorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(2-chlorop…

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)	3.55	6.36	-12.88	1	7	0	79	435.933	3	↓ MOL2 SDF SMILES Flexibase

38568028

Analogs

38568264

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2,6-difluorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(2,6-diflu…

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)	3.15	6.1	-19.3	1	7	0	79	437.468	3	↓ MOL2 SDF SMILES Flexibase

38568035

Analogs

38634164
38568019

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(4-ethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(4-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)	3.35	6.23	-15.99	1	8	0	88	445.541	5	↓ MOL2 SDF SMILES Flexibase

38568038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2-ethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-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)	3.31	6.1	-14.65	1	8	0	88	445.541	5	↓ MOL2 SDF SMILES Flexibase

38568044

Analogs

38633704

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(4-tert-butylphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(4-tert-bu…

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)	4.63	8.34	-14.57	1	7	0	79	457.596	4	↓ MOL2 SDF SMILES Flexibase

38568048

Analogs

38568063
38634179
38634214

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3,4-dimet…

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)	2.57	5.22	-17.22	1	9	0	97	461.54	5	↓ MOL2 SDF SMILES Flexibase

38568050

Analogs

38634147
38634182
38568016

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3,5-dimet…

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)	2.96	4.62	-17.8	1	9	0	97	461.54	5	↓ MOL2 SDF SMILES Flexibase

38568052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2,3-dimethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(2,3-dimet…

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)	2.74	5.43	-15.63	1	9	0	97	461.54	5	↓ MOL2 SDF SMILES Flexibase

38568053

Analogs

38634188

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(2,4-dimet…

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)	2.96	4.71	-15.58	1	9	0	97	461.54	5	↓ MOL2 SDF SMILES Flexibase

38568055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methoxy-phenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(5-chloro-…

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)	3.58	5.69	-15	1	8	0	88	465.959	4	↓ MOL2 SDF SMILES Flexibase

38568057

Analogs

38633726

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-[2-(trifluoromethyl)phenyl]-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-[2-(triflu…

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	6.99	-12.97	1	7	0	79	469.485	4	↓ MOL2 SDF SMILES Flexibase

38568058

Analogs

38633728

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-[3-(triflu…

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)	3.79	6.89	-13.65	1	7	0	79	469.485	4	↓ MOL2 SDF SMILES Flexibase

38568059

Analogs

38633730

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-[4-(triflu…

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)	3.82	6.88	-14.74	1	7	0	79	469.485	4	↓ MOL2 SDF SMILES Flexibase

38568060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3,4-dichlorophenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3,4-dichl…

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)	4.21	6.86	-13.19	1	7	0	79	470.378	3	↓ MOL2 SDF SMILES Flexibase

38568061

Analogs

38634207

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(4-butoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(4-butoxyp…

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)	4.42	7.81	-15.58	1	8	0	88	473.595	7	↓ MOL2 SDF SMILES Flexibase

38568063

Analogs

38634179
38634214
38568048

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(benzenesulfonyl)-N-(3,4,5-tri…

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)	2.55	5.16	-18.5	1	10	0	107	491.566	6	↓ MOL2 SDF SMILES Flexibase

38568244

Analogs

38568251
38568004

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-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)	3.09	6.08	-14.38	1	7	0	79	419.478	3	↓ MOL2 SDF SMILES Flexibase

38568248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-(o-tolyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-(o-…

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)	3.49	6.63	-14.07	1	7	0	79	433.505	3	↓ MOL2 SDF SMILES Flexibase

38568249

Analogs

38568255
38568256

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-(m-tolyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-(m-…

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)	3.51	6.78	-16.72	1	7	0	79	433.505	3	↓ MOL2 SDF SMILES Flexibase

38568250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-(p-tolyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-(p-…

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)	3.53	6.79	-16.96	1	7	0	79	433.505	3	↓ MOL2 SDF SMILES Flexibase

38568251

Analogs

38568004
38568244

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-fluorophenyl)-4-(4-fluoroph…

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)	3.25	6.16	-16.91	1	7	0	79	437.468	3	↓ MOL2 SDF SMILES Flexibase

38568252

Analogs

38568007

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2-fluorophenyl)-4-(4-fluoroph…

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)	3.20	5.94	-14.08	1	7	0	79	437.468	3	↓ MOL2 SDF SMILES Flexibase

38568255

Analogs

38568249

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3,4-dimethylphenyl)-4-(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)	3.91	7.3	-14.61	1	7	0	79	447.532	3	↓ MOL2 SDF SMILES Flexibase

38568256

Analogs

38568249

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3,5-dimethylphenyl)-4-(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)	3.91	7.37	-14.43	1	7	0	79	447.532	3	↓ MOL2 SDF SMILES Flexibase

38568257

Analogs

38568274

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-(3-…

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)	3.12	5.41	-16.53	1	8	0	88	449.504	4	↓ MOL2 SDF SMILES Flexibase

38568258

Analogs

38568267

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-(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)	3.14	5.39	-18.45	1	8	0	88	449.504	4	↓ MOL2 SDF SMILES Flexibase

38568259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide 4-(4-fluorophenyl)sulfonyl-N-(2-…

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)	3.09	5.24	-14.18	1	8	0	88	449.504	4	↓ MOL2 SDF SMILES Flexibase

38568261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-chlorophenyl)-4-(4-fluoroph…

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)	3.76	6.63	-16.3	1	7	0	79	453.923	3	↓ MOL2 SDF SMILES Flexibase

38568262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3-chlorophenyl)-4-(4-fluoroph…

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)	3.74	6.62	-18.3	1	7	0	79	453.923	3	↓ MOL2 SDF SMILES Flexibase

38568263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2-chlorophenyl)-4-(4-fluoroph…

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)	3.72	6.44	-13.74	1	7	0	79	453.923	3	↓ MOL2 SDF SMILES Flexibase

38568264

Analogs

38568028

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,6-difluorophenyl)-4-(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)	3.32	6.13	-16.42	1	7	0	79	455.458	3	↓ MOL2 SDF SMILES Flexibase

38568267

Analogs

38568283
38568258

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-ethoxyphenyl)-4-(4-fluoroph…

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	6.32	-18.26	1	8	0	88	463.531	5	↓ MOL2 SDF SMILES Flexibase

38568268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2-ethoxyphenyl)-4-(4-fluoroph…

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)	3.47	6.17	-15.6	1	8	0	88	463.531	5	↓ MOL2 SDF SMILES Flexibase

38568271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(4-tert-butylphenyl)-4-(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)	4.79	8.43	-16.58	1	7	0	79	475.586	4	↓ MOL2 SDF SMILES Flexibase

38568273

Analogs

38568285

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3,4-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)	2.73	5.28	-16.75	1	9	0	97	479.53	5	↓ MOL2 SDF SMILES Flexibase

38568274

Analogs

38568257

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(3,5-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)	3.13	4.69	-17.23	1	9	0	97	479.53	5	↓ MOL2 SDF SMILES Flexibase

38568275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide N-(2,3-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)	2.91	5.26	-16.45	1	9	0	97	479.53	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 590576
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 = 590576 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=590576&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": "590576"        

    });
</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