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

8980372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.51	1.46	-17.04	1	7	0	94	352.346	5	↓ MOL2 SDF SMILES Flexibase

8980416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethylsulfanyl)phenyl]-2-(1,3-dioxoisoindolin-2-yl)-acetamide N-[2-(difluoromethylsulfanyl)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)	3.27	1.03	-16.34	1	5	0	68	362.357	5	↓ MOL2 SDF SMILES Flexibase

8980423

Analogs

3303009

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[2-(trifluoromethoxy)phenyl]-acetamide 2-(1,3-dioxoisoindolin-2-yl)-N-[…

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	1.76	-14.01	1	6	0	77	364.279	5	↓ MOL2 SDF SMILES Flexibase

10511285

Analogs

16782966

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(4-methylsulfonylphenyl)-acetamide 2-(1,3-dioxoisoindolin-2-yl)-N-(…

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)	1.20	-3.54	-25.06	1	7	0	102	358.375	4	↓ MOL2 SDF SMILES Flexibase

10512134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(2-methylsulfonylphenyl)-acetamide 2-(1,3-dioxoisoindolin-2-yl)-N-(…

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)	1.59	-2.69	-19.35	1	7	0	102	358.375	4	↓ MOL2 SDF SMILES Flexibase

53330985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-(1,3-dioxoisoindolin-2-yl)acetamide N-(2-cyanoethyl)-N-(2,3-dimethyl…

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	11.17	-19.42	0	6	0	83	361.401	5	↓ MOL2 SDF SMILES Flexibase

18956393

Analogs

25542104

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzamide N,N-diethyl-3-[[2-(4-nitro-1,3-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)	1.62	9.58	-35.4	1	10	0	134	424.413	7	↓ MOL2 SDF SMILES Flexibase

12007348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(4-methylsulfonylphenyl)-acetamide 2-(5,6-dichloro-1,3-dioxo-isoind…

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)	2.46	-3.82	-21.34	1	7	0	102	427.265	4	↓ MOL2 SDF SMILES Flexibase

36873868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-methylsulfanylphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide (2S)-N-(4-methylsulfanylphenyl)-…

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)	2.72	10.1	-20.75	1	8	0	114	385.401	5	↓ MOL2 SDF SMILES Flexibase

22762761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanami (2R)-N-[3-(difluoromethoxy)-4-me…

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)	2.19	5.65	-30.19	1	9	0	121	482.461	9	↓ MOL2 SDF SMILES Flexibase

22762765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanami (2S)-N-[3-(difluoromethoxy)-4-me…

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)	2.19	5.7	-30.16	1	9	0	121	482.461	9	↓ MOL2 SDF SMILES Flexibase

22765803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.50	10.05	-14.4	1	7	0	94	435.263	5	↓ MOL2 SDF SMILES Flexibase

22765806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	4.50	9.98	-14.05	1	7	0	94	435.263	5	↓ MOL2 SDF SMILES Flexibase

23006632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dipropoxyphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-(3,4-dipropoxyphenyl)-2-(4-nit…

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)	3.33	10.59	-26.16	1	10	0	132	441.44	10	↓ MOL2 SDF SMILES Flexibase

23029118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-[3,5-bis(trifluoromethyl)pheny…

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)	3.65	9.96	-24.37	1	8	0	114	461.274	6	↓ MOL2 SDF SMILES Flexibase

23359272

Analogs

23359275

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethynylphenyl)propanamide (2S)-2-(1,3-dioxoisoindolin-2-yl…

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)	2.43	8.74	-18.94	1	5	0	68	318.332	3	↓ MOL2 SDF SMILES Flexibase

23359275

Analogs

23359272

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethynylphenyl)propanamide (2R)-2-(1,3-dioxoisoindolin-2-yl…

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)	2.43	8.7	-22.47	1	5	0	68	318.332	3	↓ MOL2 SDF SMILES Flexibase

23359317

Analogs

33177517
36845569
3611779
3598607
3598601

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethynylphenyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-(3-ethynylphenyl)-2-(4-nitro-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)	1.67	9.12	-28.77	1	8	0	114	349.302	4	↓ MOL2 SDF SMILES Flexibase

23913394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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	8.6	-25.78	1	7	0	94	366.373	6	↓ MOL2 SDF SMILES Flexibase

24985940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)-N-ethyl-4-methyl-N-phenyl-pentanamide (2R)-2-(1,3-dioxoisoindolin-2-yl…

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)	4.59	12.02	-16.24	0	5	0	59	364.445	6	↓ MOL2 SDF SMILES Flexibase

24985944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-ethyl-4-methyl-N-phenyl-pentanamide (2S)-2-(1,3-dioxoisoindolin-2-yl…

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)	4.59	10.93	-14.28	0	5	0	59	364.445	6	↓ MOL2 SDF SMILES Flexibase

59002897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-2-(5-methyl-1,3-dioxo-isoindolin-2-yl)acetamide N-(2,6-difluorophenyl)-2-(5-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)	2.98	7.28	-18.21	1	5	0	68	330.29	3	↓ MOL2 SDF SMILES Flexibase

60515605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-(4-nitrophenyl)acetamide 2-(5-methyl-1,3-dioxo-isoindolin…

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)	2.71	7.76	-18.54	1	8	0	114	339.307	4	↓ MOL2 SDF SMILES Flexibase

60518818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-nitro-phenyl)-2-(5-methyl-1,3-dioxo-isoindolin-2-yl)acetamide N-(4-chloro-3-nitro-phenyl)-2-(5…

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	8.14	-23.57	1	8	0	114	373.752	4	↓ MOL2 SDF SMILES Flexibase

944970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanamide N-[2-chloro-5-(trifluoromethyl)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)	4.94	3.35	-13.94	1	5	0	68	424.806	5	↓ MOL2 SDF SMILES Flexibase

944971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanamide N-[2-chloro-5-(trifluoromethyl)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)	4.94	4.35	-14.28	1	5	0	68	424.806	5	↓ MOL2 SDF SMILES Flexibase

945167

Analogs

4159244
4159245

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-mesityl-4-methyl-2-phthalimido-valeramide (2R)-N-mesityl-4-methyl-2-phthal…

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)	4.23	2.75	-15.13	1	5	0	68	378.472	5	↓ MOL2 SDF SMILES Flexibase

945168

Analogs

4159244
4159245

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-mesityl-4-methyl-2-phthalimido-valeramide (2S)-N-mesityl-4-methyl-2-phthal…

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)	4.23	2.61	-15.16	1	5	0	68	378.472	5	↓ MOL2 SDF SMILES Flexibase

945338

Analogs

5721564
5722795

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-3-methyl-2-phthalimido-butanoyl]amino]benzene-1,4-dicarboxylic-acid-dimethyl-ester 2-[[(2S)-3-methyl-2-phthalimido-…

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	11.66	-20.98	1	9	0	121	438.436	8	↓ MOL2 SDF SMILES Flexibase

945339

Analogs

5721564
5722795

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-3-methyl-2-phthalimido-butanoyl]amino]benzene-1,4-dicarboxylic-acid-dimethyl-ester 2-[[(2R)-3-methyl-2-phthalimido-…

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	11.76	-21.12	1	9	0	121	438.436	8	↓ MOL2 SDF SMILES Flexibase

946428

Analogs

5756041
5756049
7350455
7350462
7350469

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,6-diisopropylphenyl)-2-phthalimido-propionamide (2R)-N-(2,6-diisopropylphenyl)-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)	3.74	11.47	-14.65	1	5	0	68	378.472	5	↓ MOL2 SDF SMILES Flexibase

946429

Analogs

5756041
5756049
7350455
7350462
7350469

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,6-diisopropylphenyl)-2-phthalimido-propionamide (2S)-N-(2,6-diisopropylphenyl)-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)	3.74	11.41	-13.74	1	5	0	68	378.472	5	↓ MOL2 SDF SMILES Flexibase

946430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,6-diisopropylphenyl)-3-methyl-2-phthalimido-butyramide (2R)-N-(2,6-diisopropylphenyl)-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)	4.48	3.75	-14.27	1	5	0	68	406.526	6	↓ MOL2 SDF SMILES Flexibase

946431

Analogs

5717569
5717572
5717576
5717579

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,6-diisopropylphenyl)-3-methyl-2-phthalimido-butyramide (2S)-N-(2,6-diisopropylphenyl)-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)	4.48	3.68	-14.27	1	5	0	68	406.526	6	↓ MOL2 SDF SMILES Flexibase

947140

Analogs

5953906
5953912
5954046
5954052

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-4-methyl-2-phthalimido-pentanoyl]amino]benzamide 2-[[(2S)-4-methyl-2-phthalimido-…

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	-0.56	-18.53	3	7	0	111	379.416	6	↓ MOL2 SDF SMILES Flexibase

947141

Analogs

5953906
5953912
5954046
5954052

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-4-methyl-2-phthalimido-pentanoyl]amino]benzamide 2-[[(2R)-4-methyl-2-phthalimido-…

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	-0.93	-19.1	3	7	0	111	379.416	6	↓ MOL2 SDF SMILES Flexibase

947368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-chloro-3-nitro-phenyl)-2-phthalimido-propionamide (2S)-N-(4-chloro-3-nitro-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)	3.26	0.85	-24.18	1	8	0	113	373.752	4	↓ MOL2 SDF SMILES Flexibase

947369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chloro-3-nitro-phenyl)-2-phthalimido-propionamide (2R)-N-(4-chloro-3-nitro-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)	3.26	0.84	-16.27	1	8	0	113	373.752	4	↓ MOL2 SDF SMILES Flexibase

52409766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-(4-methylsulfanylphenyl)propanamide (2S)-2-(5-methyl-1,3-dioxo-isoin…

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	9.22	-15.79	1	5	0	68	354.431	4	↓ MOL2 SDF SMILES Flexibase

52409768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-(4-methylsulfanylphenyl)propanamide (2R)-2-(5-methyl-1,3-dioxo-isoin…

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	9.2	-15.82	1	5	0	68	354.431	4	↓ MOL2 SDF SMILES Flexibase

1787814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butoxyphenyl)-2-phthalimido-acetamide N-(4-butoxyphenyl)-2-phthalimido…

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	0.32	-17.52	1	6	0	77	352.39	7	↓ MOL2 SDF SMILES Flexibase

14013377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide N-(3-chlorophenyl)-N-(2-cyanoeth…

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)	2.62	10.59	-20.38	0	9	0	129	412.789	6	↓ MOL2 SDF SMILES Flexibase

14015629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide (2S)-2-(1,3-dioxoisoindolin-2-yl…

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)	2.86	7.19	-24.46	1	7	0	102	454.426	7	↓ MOL2 SDF SMILES Flexibase

14015632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-N-[3-(trifluoromethyl)phenyl]butanamide (2R)-2-(1,3-dioxoisoindolin-2-yl…

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)	2.86	7.16	-24.46	1	7	0	102	454.426	7	↓ MOL2 SDF SMILES Flexibase

68883211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(3-nitrophenyl)propanamide (2S)-2-(5,6-dichloro-1,3-dioxo-i…

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	9.15	-20.42	1	8	0	114	408.197	4	↓ MOL2 SDF SMILES Flexibase

68883213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(3-nitrophenyl)propanamide (2R)-2-(5,6-dichloro-1,3-dioxo-i…

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	9.2	-20.24	1	8	0	114	408.197	4	↓ MOL2 SDF SMILES Flexibase

68883218

Analogs

7055870

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(p-tolyl)propanamide (2R)-2-(5,6-dichloro-1,3-dioxo-i…

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)	4.40	9.19	-12.2	1	5	0	68	377.227	3	↓ MOL2 SDF SMILES Flexibase

68883245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(m-tolyl)propanamide (2R)-2-(5,6-dichloro-1,3-dioxo-i…

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)	4.38	9.19	-12.07	1	5	0	68	377.227	3	↓ MOL2 SDF SMILES Flexibase

68883246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(m-tolyl)propanamide (2S)-2-(5,6-dichloro-1,3-dioxo-i…

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)	4.38	9.12	-12.02	1	5	0	68	377.227	3	↓ MOL2 SDF SMILES Flexibase

68883258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)-N-(4-fluorophenyl)propanamide (2S)-2-(5,6-dichloro-1,3-dioxo-i…

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	8.51	-12.42	1	5	0	68	381.19	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6269
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 = 6269 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6269&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": "6269"        

    });
</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