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

49275108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(3-chloro-4-fluoro-phenoxy)-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)	3.67	8.04	-10.33	1	3	0	38	297.757	5	↓ MOL2 SDF SMILES Flexibase

49275110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(3-chloro-4-fluoro-phenoxy)-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)	3.67	8.04	-10.33	1	3	0	38	297.757	5	↓ MOL2 SDF SMILES Flexibase

49275142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2,5-dichlorophenoxy)acetamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	8.53	-10.92	1	3	0	38	314.212	5	↓ MOL2 SDF SMILES Flexibase

49275144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(2,5-dichlorophenoxy)acetamide N-[[(1S)-cyclohex-3-en-1-yl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	8.53	-10.92	1	3	0	38	314.212	5	↓ MOL2 SDF SMILES Flexibase

49275200

Analogs

45629560
45629562

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-bromophenoxy)-N-[[(1R)-cycl…

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)	3.71	8.1	-10.61	1	3	0	38	324.218	5	↓ MOL2 SDF SMILES Flexibase

49275201

Analogs

45629560
45629562

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-bromophenoxy)-N-[[(1S)-cycl…

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)	3.71	8.1	-10.61	1	3	0	38	324.218	5	↓ MOL2 SDF SMILES Flexibase

49275233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(3-bromophenoxy)-N-[[(1R)-cycl…

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)	3.69	8.1	-9.64	1	3	0	38	324.218	5	↓ MOL2 SDF SMILES Flexibase

49275235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(3-bromophenoxy)-N-[[(1S)-cycl…

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)	3.69	8.1	-9.64	1	3	0	38	324.218	5	↓ MOL2 SDF SMILES Flexibase

49275255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-bromo-2-chloro-phenoxy)-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)	4.32	8.63	-12.43	1	3	0	38	358.663	5	↓ MOL2 SDF SMILES Flexibase

49275257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-bromo-2-chloro-phenoxy)-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)	4.32	8.63	-12.42	1	3	0	38	358.663	5	↓ MOL2 SDF SMILES Flexibase

49277973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyanophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(3-cyanophenoxy)-N-[[(1R)-cycl…

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)	2.63	7.87	-15.29	1	4	0	62	270.332	5	↓ MOL2 SDF SMILES Flexibase

49277976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-cyanophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(3-cyanophenoxy)-N-[[(1S)-cycl…

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)	2.63	7.87	-15.28	1	4	0	62	270.332	5	↓ MOL2 SDF SMILES Flexibase

49278205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(3,4-dichlorophenoxy)acetamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	8.45	-9.82	1	3	0	38	314.212	5	↓ MOL2 SDF SMILES Flexibase

49278208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(3,4-dichlorophenoxy)acetamide N-[[(1S)-cyclohex-3-en-1-yl]meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	8.45	-9.82	1	3	0	38	314.212	5	↓ MOL2 SDF SMILES Flexibase

49278642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(2-chloro-4-fluoro-phenoxy)-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)	3.67	8.07	-13.01	1	3	0	38	297.757	5	↓ MOL2 SDF SMILES Flexibase

49278645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(2-chloro-4-fluoro-phenoxy)-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)	3.67	8.06	-13.01	1	3	0	38	297.757	5	↓ MOL2 SDF SMILES Flexibase

49278683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-methyl-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-chloro-2-methyl-phenoxy)-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)	3.96	8.7	-10.37	1	3	0	38	293.794	5	↓ MOL2 SDF SMILES Flexibase

49278686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-methyl-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-chloro-2-methyl-phenoxy)-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)	3.96	8.7	-10.36	1	3	0	38	293.794	5	↓ MOL2 SDF SMILES Flexibase

49278798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-chloro-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(2-bromo-4-chloro-phenoxy)-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)	4.32	8.63	-12.35	1	3	0	38	358.663	5	↓ MOL2 SDF SMILES Flexibase

49278801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-chloro-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(2-bromo-4-chloro-phenoxy)-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)	4.32	8.63	-12.36	1	3	0	38	358.663	5	↓ MOL2 SDF SMILES Flexibase

49278804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(4-iodophenoxy)acetamide N-[[(1R)-cyclohex-3-en-1-yl]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)	3.98	8.58	-10.37	1	3	0	38	371.218	5	↓ MOL2 SDF SMILES Flexibase

49278807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(4-iodophenoxy)acetamide N-[[(1S)-cyclohex-3-en-1-yl]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)	3.98	8.58	-10.37	1	3	0	38	371.218	5	↓ MOL2 SDF SMILES Flexibase

49295385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]propanamide (2S)-2-(4-bromophenoxy)-N-[[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	8.68	-10.3	1	3	0	38	338.245	5	↓ MOL2 SDF SMILES Flexibase

49295386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]propanamide (2R)-2-(4-bromophenoxy)-N-[[(1R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	8.68	-10.25	1	3	0	38	338.245	5	↓ MOL2 SDF SMILES Flexibase

49295389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]propanamide (2S)-2-(4-bromophenoxy)-N-[[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	8.68	-10.26	1	3	0	38	338.245	5	↓ MOL2 SDF SMILES Flexibase

49295392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]propanamide (2R)-2-(4-bromophenoxy)-N-[[(1S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	8.68	-10.3	1	3	0	38	338.245	5	↓ MOL2 SDF SMILES Flexibase

49295410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]propanamide (2S)-2-(3-chlorophenoxy)-N-[[(1R…

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)	3.92	8.57	-11.85	1	3	0	38	293.794	5	↓ MOL2 SDF SMILES Flexibase

49295412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-chlorophenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]propanamide (2R)-2-(3-chlorophenoxy)-N-[[(1R…

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)	3.92	8.57	-9.46	1	3	0	38	293.794	5	↓ MOL2 SDF SMILES Flexibase

49295415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3-chlorophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]propanamide (2S)-2-(3-chlorophenoxy)-N-[[(1S…

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)	3.92	8.58	-11.85	1	3	0	38	293.794	5	↓ MOL2 SDF SMILES Flexibase

49295418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3-chlorophenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]propanamide (2R)-2-(3-chlorophenoxy)-N-[[(1S…

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)	3.92	8.57	-9.52	1	3	0	38	293.794	5	↓ MOL2 SDF SMILES Flexibase

49295431

Analogs

45628568
45628569
45628616
45628617
45628624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(4-methoxyphenoxy)acetamide N-[[(1R)-cyclohex-3-en-1-yl]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)	2.96	6.76	-11.85	1	4	0	48	275.348	6	↓ MOL2 SDF SMILES Flexibase

49295434

Analogs

45628568
45628569
45628616
45628617
45628624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(4-methoxyphenoxy)acetamide N-[[(1S)-cyclohex-3-en-1-yl]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)	2.96	6.76	-11.85	1	4	0	48	275.348	6	↓ MOL2 SDF SMILES Flexibase

49295511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(2-bromo-4-fluoro-phenoxy)-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)	3.80	8.18	-12.85	1	3	0	38	342.208	5	↓ MOL2 SDF SMILES Flexibase

49295513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(2-bromo-4-fluoro-phenoxy)-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)	3.80	8.18	-12.85	1	3	0	38	342.208	5	↓ MOL2 SDF SMILES Flexibase

49298121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-bromo-2-fluoro-phenoxy)-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)	3.80	8.16	-13.96	1	3	0	38	342.208	5	↓ MOL2 SDF SMILES Flexibase

49298123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]acetamide 2-(4-bromo-2-fluoro-phenoxy)-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)	3.80	8.16	-13.97	1	3	0	38	342.208	5	↓ MOL2 SDF SMILES Flexibase

49298183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyphenoxy)acetamide N-[[(1R)-cyclohex-3-en-1-yl]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)	2.51	7.23	-14.68	1	4	0	48	275.348	6	↓ MOL2 SDF SMILES Flexibase

49298185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-(2-methoxyphenoxy)acetamide N-[[(1S)-cyclohex-3-en-1-yl]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)	2.51	7.23	-14.67	1	4	0	48	275.348	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 298812
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 = 298812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=298812&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": "298812"        

    });
</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