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

20119674

Analogs

39680599
39680600

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5S)-7-[(2,3-difluorophenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decan-3-yl]-2-oxo-ethyl]acetamide N-[2-[(5S)-7-[(2,3-difluoropheny…

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)	0.40	6.34	-24.45	1	6	0	70	379.407	4	↓ MOL2 SDF SMILES Flexibase

20119676

Analogs

39680599
39680600

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(5R)-7-[(2,3-difluorophenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decan-3-yl]-2-oxo-ethyl]acetamide N-[2-[(5R)-7-[(2,3-difluoropheny…

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)	0.40	6.26	-14.71	1	6	0	70	379.407	4	↓ MOL2 SDF SMILES Flexibase

11817198

Analogs

11817199
11879324
11879325

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-isopropyl-7-[(3-methoxyphenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5S)-N-isopropyl-7-[(3-methoxyph…

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)	2.61	-1.61	-20.71	1	6	0	62	359.47	4	↓ MOL2 SDF SMILES Flexibase

11817199

Analogs

11879324
11879325
11817198

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-isopropyl-7-[(3-methoxyphenyl)methyl]-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5R)-N-isopropyl-7-[(3-methoxyph…

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)	2.61	-1.65	-20.1	1	6	0	62	359.47	4	↓ MOL2 SDF SMILES Flexibase

11818062

Analogs

11818063
12582110
12582116
12594851
12594852

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-3-isopentyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-fluorophenyl)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)	3.51	2.33	-38.22	1	3	1	25	333.471	5	↓ MOL2 SDF SMILES Flexibase

11818063

Analogs

12582110
12582116
12594851
12594852
12703406

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-3-isopentyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-fluorophenyl)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)	3.51	2.32	-39.84	1	3	1	25	333.471	5	↓ MOL2 SDF SMILES Flexibase

11838257

Analogs

11838258
11838728
11838729
12300284
12300286

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-3-(3-methylbutanoyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-fluorophenyl)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)	2.84	1.52	-16.7	0	4	0	41	346.446	4	↓ MOL2 SDF SMILES Flexibase

11838258

Analogs

11838728
11838729
11838257

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-3-(3-methylbutanoyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-fluorophenyl)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)	2.84	1.17	-13.94	0	4	0	41	346.446	4	↓ MOL2 SDF SMILES Flexibase

11838600

Analogs

11838602

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[(E)-2-methylbut-2-enyl]-7-(m-tolylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-3-[(E)-2-methylbut-2-enyl]-…

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)	3.57	2.19	-32.08	1	3	1	25	327.492	4	↓ MOL2 SDF SMILES Flexibase

11838602

Analogs

11838600

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[(E)-2-methylbut-2-enyl]-7-(m-tolylmethyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-3-[(E)-2-methylbut-2-enyl]-…

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)	3.57	1.94	-34.02	1	3	1	25	327.492	4	↓ MOL2 SDF SMILES Flexibase

11838728

Analogs

11838729
12300284
12300286
12373188
12373189

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-3-(2-methylpropanoyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-fluorophenyl)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)	2.30	0.88	-16.45	0	4	0	41	332.419	3	↓ MOL2 SDF SMILES Flexibase

11838729

Analogs

12300284
12300286
12373188
12373189
12762547

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-3-(2-methylpropanoyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-fluorophenyl)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)	2.30	0.87	-14.47	0	4	0	41	332.419	3	↓ MOL2 SDF SMILES Flexibase

11840028

Analogs

11840029
15061872
15061874

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-3-isobutyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(2,3-dimethoxyphenyl)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)	2.64	2.3	-36.74	1	5	1	43	361.506	6	↓ MOL2 SDF SMILES Flexibase

11840029

Analogs

15061872
15061874
11840028

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(2,3-dimethoxyphenyl)methyl]-3-isobutyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(2,3-dimethoxyphenyl)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)	2.64	2.11	-36.8	1	5	1	43	361.506	6	↓ MOL2 SDF SMILES Flexibase

11841990

Analogs

11841992

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-propylsulfonyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(3,4-difluorophenyl)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)	2.21	-2.63	-16.46	0	5	0	58	386.464	5	↓ MOL2 SDF SMILES Flexibase

11841992

Analogs

11841990

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(3,4-difluorophenyl)methyl]-3-propylsulfonyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(3,4-difluorophenyl)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)	2.21	-2.68	-19.2	0	5	0	58	386.464	5	↓ MOL2 SDF SMILES Flexibase

11842091

Analogs

11842093
11932943
11932944
12192817
12192823

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(2-methylpropanoyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-2-(2-methylpropanoyl)-9-(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)	2.57	0.47	-15.86	0	4	0	41	328.456	3	↓ MOL2 SDF SMILES Flexibase

11842093

Analogs

11932943
11932944
12192817
12192823
12594001

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(2-methylpropanoyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-2-(2-methylpropanoyl)-9-(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)	2.57	0.6	-14.59	0	4	0	41	328.456	3	↓ MOL2 SDF SMILES Flexibase

11842948

Analogs

11842949

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-3,7-diazaspiro[4.5]decane-3-sulfonamide (5R)-7-[(4-fluorophenyl)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)	1.24	-3.87	-20.39	0	6	0	61	369.462	4	↓ MOL2 SDF SMILES Flexibase

11842949

Analogs

11842948

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-N,N-dimethyl-6-oxo-3,7-diazaspiro[4.5]decane-3-sulfonamide (5S)-7-[(4-fluorophenyl)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)	1.24	-3.66	-20.88	0	6	0	61	369.462	4	↓ MOL2 SDF SMILES Flexibase

11843427

Analogs

11843428
12430622
12430623
39639329
39639330

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(2,3-difluorophenyl)methyl]-3-isopropyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(2,3-difluorophenyl)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)	2.60	2.56	-35.57	1	3	1	25	323.407	3	↓ MOL2 SDF SMILES Flexibase

11843428

Analogs

12430622
12430623
11843427

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(2,3-difluorophenyl)methyl]-3-isopropyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(2,3-difluorophenyl)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)	2.60	2.52	-36.3	1	3	1	25	323.407	3	↓ MOL2 SDF SMILES Flexibase

11844450

Analogs

11844451

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(3,4-difluorophenyl)methyl]-N-isopropyl-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5R)-7-[(3,4-difluorophenyl)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)	2.83	-0.17	-15.32	1	5	0	53	365.424	3	↓ MOL2 SDF SMILES Flexibase

11844451

Analogs

11844450

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-N-isopropyl-6-oxo-3,7-diazaspiro[4.5]decane-3-carboxamide (5S)-7-[(3,4-difluorophenyl)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)	2.83	-0.17	-19.11	1	5	0	53	365.424	3	↓ MOL2 SDF SMILES Flexibase

11996687

Analogs

11996690
39634343
39634344
39635571
39635572

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-3-(3-methylsulfanylpropanoyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-fluorophenyl)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)	1.98	0.65	-16.37	0	4	0	41	364.486	5	↓ MOL2 SDF SMILES Flexibase

11996690

Analogs

39634343
39634344
39635571
39635572
39636587

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-3-(3-methylsulfanylpropanoyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-fluorophenyl)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)	1.98	0.31	-13.66	0	4	0	41	364.486	5	↓ MOL2 SDF SMILES Flexibase

12001572

Analogs

12001577

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-(3-methylsulfanylpropyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(3,4-difluorophenyl)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)	2.75	2.38	-39.95	1	3	1	25	369.501	6	↓ MOL2 SDF SMILES Flexibase

12001577

Analogs

12001572

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(3,4-difluorophenyl)methyl]-3-(3-methylsulfanylpropyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(3,4-difluorophenyl)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)	2.75	2.18	-41.39	1	3	1	25	369.501	6	↓ MOL2 SDF SMILES Flexibase

12004927

Analogs

12004935

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-fluorophenyl)methyl]-3-methylsulfonyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-fluorophenyl)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)	1.24	-3.41	-13.53	0	5	0	58	340.42	3	↓ MOL2 SDF SMILES Flexibase

12004935

Analogs

12004927

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-fluorophenyl)methyl]-3-methylsulfonyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-fluorophenyl)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)	1.24	-3.42	-13.42	0	5	0	58	340.42	3	↓ MOL2 SDF SMILES Flexibase

12028102

Analogs

12028104

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(3-methoxyphenyl)methyl]-N,N-dimethyl-6-oxo-3,7-diazaspiro[4.5]decane-3-sulfonamide (5S)-7-[(3-methoxyphenyl)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)	1.11	-4.48	-15.5	0	7	0	70	381.498	5	↓ MOL2 SDF SMILES Flexibase

12028104

Analogs

12028102

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(3-methoxyphenyl)methyl]-N,N-dimethyl-6-oxo-3,7-diazaspiro[4.5]decane-3-sulfonamide (5R)-7-[(3-methoxyphenyl)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)	1.11	-4.73	-12.71	0	7	0	70	381.498	5	↓ MOL2 SDF SMILES Flexibase

12029949

Analogs

12029957
14960459
14960463
19300754
19300756

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(1-ethylpropyl)-7-[(3-methoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-3-(1-ethylpropyl)-7-[(3-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)	3.47	1.16	-34.78	1	4	1	34	345.507	6	↓ MOL2 SDF SMILES Flexibase

12029957

Analogs

14960459
14960463
19300754
19300756
12029949

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(1-ethylpropyl)-7-[(3-methoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5R)-3-(1-ethylpropyl)-7-[(3-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)	3.47	1.55	-31.63	1	4	1	34	345.507	6	↓ MOL2 SDF SMILES Flexibase

12030862

Analogs

12030865
12583195
12583203
12595371
12595374

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-N-propyl-3,7-diazaspiro[4.5]decane-3-carboxamide (5S)-7-[(2,3-dimethoxyphenyl)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)	2.60	-1.5	-16.89	1	7	0	71	389.496	6	↓ MOL2 SDF SMILES Flexibase

12030865

Analogs

12583195
12583203
12595371
12595374
12030862

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-N-propyl-3,7-diazaspiro[4.5]decane-3-carboxamide (5R)-7-[(2,3-dimethoxyphenyl)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)	2.60	-1.52	-15.12	1	7	0	71	389.496	6	↓ MOL2 SDF SMILES Flexibase

12031309

Analogs

12031313

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(2-fluorophenyl)methyl]-3-pent-4-enoyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(2-fluorophenyl)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)	2.56	1.14	-18.97	0	4	0	41	344.43	5	↓ MOL2 SDF SMILES Flexibase

12031313

Analogs

12031309

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(2-fluorophenyl)methyl]-3-pent-4-enoyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(2-fluorophenyl)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)	2.56	1.19	-15.5	0	4	0	41	344.43	5	↓ MOL2 SDF SMILES Flexibase

12208683

Analogs

12208689
39634343
39634344
39639537
39639538

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(2-fluorophenyl)methyl]-3-(3-methylsulfanylpropanoyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(2-fluorophenyl)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)	1.93	0.14	-17.96	0	4	0	41	364.486	5	↓ MOL2 SDF SMILES Flexibase

12208689

Analogs

39634343
39634344
39639537
39639538
39684885

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(2-fluorophenyl)methyl]-3-(3-methylsulfanylpropanoyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(2-fluorophenyl)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)	1.93	0.18	-15.5	0	4	0	41	364.486	5	↓ MOL2 SDF SMILES Flexibase

12209399

Analogs

12209404

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-9-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,9-diazaspiro[4.5]decan-10-one (5S)-9-[(2-fluorophenyl)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)	3.28	3.59	-45.17	1	3	1	25	373.414	6	↓ MOL2 SDF SMILES Flexibase

12209404

Analogs

12209399

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-9-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,9-diazaspiro[4.5]decan-10-one (5R)-9-[(2-fluorophenyl)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)	3.28	3.61	-44.15	1	3	1	25	373.414	6	↓ MOL2 SDF SMILES Flexibase

12209520

Analogs

12209526

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-7-[(4-isopropylphenyl)methyl]-3-propylsulfonyl-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(4-isopropylphenyl)methy…

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)	3.46	-3.13	-11.79	0	5	0	58	392.565	6	↓ MOL2 SDF SMILES Flexibase

12209526

Analogs

12209520

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-[(4-isopropylphenyl)methyl]-3-propylsulfonyl-3,7-diazaspiro[4.5]decan-6-one (5R)-7-[(4-isopropylphenyl)methy…

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)	3.46	-3.34	-11.84	0	5	0	58	392.565	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 22983
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 = 22983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=22983&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": "22983"        

    });
</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