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

6541098

Analogs

3374792

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-cyclopropyl-acetamide 2-(4-cyano-2-ethoxy-phenoxy)-N-c…

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)	1.19	0.92	-16.71	1	5	0	71	260.293	6	↓ MOL2 SDF SMILES Flexibase

35625762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[2-[(1S)-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)	1.85	4.83	-12.32	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35625763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[2-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[2-[(1R)-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)	1.85	4.83	-12.76	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35625764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[2-[(1S)-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)	1.85	4.79	-12.76	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35625765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[2-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[2-[(1R)-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)	1.85	4.79	-12.38	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35626005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]acetamide N-cyclopropyl-2-[2-[(1S)-1-hydro…

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)	1.49	4.21	-12.67	2	4	0	59	249.31	6	↓ MOL2 SDF SMILES Flexibase

35626006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[2-[(1R)-1-hydroxypropyl]phenoxy]acetamide N-cyclopropyl-2-[2-[(1R)-1-hydro…

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)	1.49	4.21	-12.66	2	4	0	59	249.31	6	↓ MOL2 SDF SMILES Flexibase

35626157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(1S)-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)	1.39	3.85	-12.28	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(1R)-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)	1.39	3.83	-12.38	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(1S)-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)	1.39	3.8	-12.34	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(1R)-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)	1.39	3.78	-12.25	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide N-cyclopropyl-2-[4-[(1S)-1-hydro…

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)	1.03	3.23	-13.85	2	4	0	59	235.283	5	↓ MOL2 SDF SMILES Flexibase

35626386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide N-cyclopropyl-2-[4-[(1R)-1-hydro…

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)	1.03	3.2	-13.83	2	4	0	59	235.283	5	↓ MOL2 SDF SMILES Flexibase

35626489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(1S)-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)	0.98	3.6	-15.72	2	5	0	68	279.336	6	↓ MOL2 SDF SMILES Flexibase

35626490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(1R)-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)	0.98	3.56	-15.84	2	5	0	68	279.336	6	↓ MOL2 SDF SMILES Flexibase

35626491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(1S)-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)	0.98	3.56	-15.73	2	5	0	68	279.336	6	↓ MOL2 SDF SMILES Flexibase

35626492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(1R)-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)	0.98	3.52	-15.74	2	5	0	68	279.336	6	↓ MOL2 SDF SMILES Flexibase

35626833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[2-[(1S)-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)	1.35	3.92	-12.06	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[2-[(1R)-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)	1.35	3.91	-12.36	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626835

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[2-[(1S)-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)	1.35	3.89	-12.31	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35626836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[2-[(1R)-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)	1.35	3.88	-12.14	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35627136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide N-cyclopropyl-2-[2-[(1S)-1-hydro…

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)	0.98	3.3	-12.4	2	4	0	59	235.283	5	↓ MOL2 SDF SMILES Flexibase

35627137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]acetamide N-cyclopropyl-2-[2-[(1R)-1-hydro…

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)	0.98	3.3	-12.41	2	4	0	59	235.283	5	↓ MOL2 SDF SMILES Flexibase

35627252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(3S)-3-hydroxybutyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(3S)-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)	2.26	5.38	-13.22	2	4	0	59	277.364	7	↓ MOL2 SDF SMILES Flexibase

35627253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(3R)-3-hydroxybutyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(3R)-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)	2.26	5.37	-12.23	2	4	0	59	277.364	7	↓ MOL2 SDF SMILES Flexibase

35627254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(3S)-3-hydroxybutyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(3S)-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)	2.26	5.33	-13.19	2	4	0	59	277.364	7	↓ MOL2 SDF SMILES Flexibase

35627255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(3R)-3-hydroxybutyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(3R)-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)	2.26	5.33	-12.23	2	4	0	59	277.364	7	↓ MOL2 SDF SMILES Flexibase

35627605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[3-[(1S)-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)	1.37	3.85	-13.07	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35627606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[3-[(1R)-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)	1.37	3.82	-13	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35627607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[3-[(1S)-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)	1.37	3.8	-12.76	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35627608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[3-[(1R)-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)	1.37	3.77	-12.79	2	4	0	59	249.31	5	↓ MOL2 SDF SMILES Flexibase

35627851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide N-cyclopropyl-2-[3-[(1S)-1-hydro…

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)	1.01	3.23	-12.91	2	4	0	59	235.283	5	↓ MOL2 SDF SMILES Flexibase

35627852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide N-cyclopropyl-2-[3-[(1R)-1-hydro…

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)	1.01	3.2	-13	2	4	0	59	235.283	5	↓ MOL2 SDF SMILES Flexibase

35628155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(1S)-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)	1.90	4.78	-12.54	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35628156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-[(1R)-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)	1.90	4.75	-12.67	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35628157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(1S)-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)	1.90	4.73	-12.65	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35628158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopropyl-2-[4-[(1R)-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)	1.90	4.71	-12.62	2	4	0	59	263.337	6	↓ MOL2 SDF SMILES Flexibase

35628377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide N-cyclopropyl-2-[4-[(1S)-1-hydro…

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)	1.53	4.16	-12.53	2	4	0	59	249.31	6	↓ MOL2 SDF SMILES Flexibase

35628378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide N-cyclopropyl-2-[4-[(1R)-1-hydro…

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)	1.53	4.13	-12.45	2	4	0	59	249.31	6	↓ MOL2 SDF SMILES Flexibase

35629156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]acetamide N-cyclopropyl-2-[2-(N-hydroxy-C-…

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)	1.81	4.35	-15.5	2	5	0	71	262.309	5	↓ MOL2 SDF SMILES Flexibase

35629212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]propanamide (2S)-N-cyclopropyl-2-[2-(N-hydro…

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)	2.17	4.96	-15.51	2	5	0	71	276.336	5	↓ MOL2 SDF SMILES Flexibase

35629213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-2-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]propanamide (2R)-N-cyclopropyl-2-[2-(N-hydro…

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)	2.17	4.92	-15.53	2	5	0	71	276.336	5	↓ MOL2 SDF SMILES Flexibase

35629302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopropyl-propanamide (2S)-2-[2-[(1R)-1-aminoethyl]-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)	0.07	5.16	-43.78	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

35629303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopropyl-propanamide (2S)-2-[2-[(1S)-1-aminoethyl]-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)	0.07	5.18	-44.56	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

35629304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopropyl-propanamide (2R)-2-[2-[(1R)-1-aminoethyl]-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)	0.07	5.12	-44.43	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

35629305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopropyl-propanamide (2R)-2-[2-[(1S)-1-aminoethyl]-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)	0.07	5.14	-44.1	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

35629442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopropyl-acetamide 2-[2-[(1R)-1-aminoethyl]-4-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)	-0.29	4.54	-44.77	4	4	1	66	249.334	5	↓ MOL2 SDF SMILES Flexibase

35629443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopropyl-acetamide 2-[2-[(1S)-1-aminoethyl]-4-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)	-0.29	4.56	-45.02	4	4	1	66	249.334	5	↓ MOL2 SDF SMILES Flexibase

35629508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-methyl-2-[(1R)-1-(methylamino)ethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-methyl-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)	2.32	6.97	-38.78	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

35629509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-2-[4-methyl-2-[(1S)-1-(methylamino)ethyl]phenoxy]propanamide (2S)-N-cyclopropyl-2-[4-methyl-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)	2.32	6.99	-39.44	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3361
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 = 3361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3361&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": "3361"        

    });
</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