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

19441325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamothioylphenyl)-2-(cyclohexoxy)acetamide N-(3-carbamothioylphenyl)-2-(cyc…

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)	2.78	6.28	-31.72	3	4	0	64	292.404	5	↓ MOL2 SDF SMILES Flexibase

19990275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-(4-methylcyclohexoxy)acetamide N-(2-amino-4,6-dichloro-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)	3.47	7.3	-13.31	3	4	0	64	331.243	4	↓ MOL2 SDF SMILES Flexibase

19992398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-carbamothioylphenyl)-2-(cyclohexoxy)propanamide (2R)-N-(3-carbamothioylphenyl)-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)	3.14	6.89	-26.34	3	4	0	64	306.431	5	↓ MOL2 SDF SMILES Flexibase

19992400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-carbamothioylphenyl)-2-(cyclohexoxy)propanamide (2S)-N-(3-carbamothioylphenyl)-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)	3.14	7.05	-24.73	3	4	0	64	306.431	5	↓ MOL2 SDF SMILES Flexibase

19995160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-(4-methylcyclohexoxy)acetamide N-(4-amino-2,6-dichloro-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)	3.07	7.02	-13.54	3	4	0	64	331.243	4	↓ MOL2 SDF SMILES Flexibase

19996727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-[(1S,2R)-2-methylcyclohexoxy]acetamide N-(2-amino-4,6-dichloro-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)	3.94	7.38	-13.31	3	4	0	64	331.243	4	↓ MOL2 SDF SMILES Flexibase

19996731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-[(1S,2S)-2-methylcyclohexoxy]acetamide N-(2-amino-4,6-dichloro-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)	3.94	7.24	-13.46	3	4	0	64	331.243	4	↓ MOL2 SDF SMILES Flexibase

19996735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-[(1R,2R)-2-methylcyclohexoxy]acetamide N-(2-amino-4,6-dichloro-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)	3.94	7.24	-13.43	3	4	0	64	331.243	4	↓ MOL2 SDF SMILES Flexibase

19996738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-[(1R,2S)-2-methylcyclohexoxy]acetamide N-(2-amino-4,6-dichloro-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)	3.94	7.36	-13.62	3	4	0	64	331.243	4	↓ MOL2 SDF SMILES Flexibase

20004182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-carbamothioylphenyl)-2-(cyclohexoxy)propanamide (2R)-N-(4-carbamothioylphenyl)-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)	3.17	6.9	-21.85	3	4	0	64	306.431	5	↓ MOL2 SDF SMILES Flexibase

20004185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-carbamothioylphenyl)-2-(cyclohexoxy)propanamide (2S)-N-(4-carbamothioylphenyl)-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)	3.17	7.07	-20.39	3	4	0	64	306.431	5	↓ MOL2 SDF SMILES Flexibase

58352214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclohexoxy)-N-[2-(isopropylcarbamoylamino)phenyl]acetamide 2-(cyclohexoxy)-N-[2-(isopropylc…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	6.59	-15.31	3	6	0	79	333.432	6	↓ MOL2 SDF SMILES Flexibase

52362453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(cyclohexoxy)acetamide N-[3-chloro-4-(methanesulfonamid…

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	4.45	-50.16	1	6	-1	87	359.855	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.84	4.36	-17.21	2	6	0	85	360.863	6	↓ MOL2 SDF SMILES Flexibase

69737499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-2-(cyclohexoxy)acetamide N-[2-[(2R)-2-cyanopropyl]sulfany…

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	10.12	-13.84	1	4	0	62	332.469	7	↓ MOL2 SDF SMILES Flexibase

69737500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-2-cyanopropyl]sulfanylphenyl]-2-(cyclohexoxy)acetamide N-[2-[(2S)-2-cyanopropyl]sulfany…

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	10.12	-13.8	1	4	0	62	332.469	7	↓ MOL2 SDF SMILES Flexibase

56151895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[[2-(cyclohexoxy)acetyl]amino]-N-propyl-benzamide 2-chloro-4-[[2-(cyclohexoxy)acet…

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)	3.68	7.49	-20.58	2	5	0	67	352.862	7	↓ MOL2 SDF SMILES Flexibase

56167308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-(cyclohexoxy)acetamide N-(2-bromo-4,5-dimethoxy-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)	3.39	7.02	-10.69	1	5	0	57	372.259	6	↓ MOL2 SDF SMILES Flexibase

56174780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[[2-(cyclohexoxy)acetyl]amino]benzamide N-tert-butyl-2-[[2-(cyclohexoxy)…

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)	3.34	8.07	-11.95	2	5	0	67	332.444	6	↓ MOL2 SDF SMILES Flexibase

56180187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetamido-5-methoxy-phenyl)-2-(cyclohexoxy)acetamide N-(2-acetamido-5-methoxy-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)	2.21	5.58	-18.23	2	6	0	77	320.389	6	↓ MOL2 SDF SMILES Flexibase

67328785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclohexoxy)-N-(4-ethyl-3-sulfamoyl-phenyl)acetamide 2-(cyclohexoxy)-N-(4-ethyl-3-sul…

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)	2.54	3.61	-15.44	3	6	0	98	340.445	6	↓ MOL2 SDF SMILES Flexibase

70322389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-6-methyl-phenyl)-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)	2.07	4.91	-13.46	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-6-methyl-phenyl)-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)	2.07	5.06	-10.86	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]acetamide N-(2-amino-6-methyl-phenyl)-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)	2.07	5.02	-12.3	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]acetamide N-(2-amino-6-methyl-phenyl)-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)	2.07	4.91	-13.53	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]acetamide N-(2-amino-4-chloro-phenyl)-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)	2.33	4.77	-13.68	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-4-chloro-phenyl)-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)	2.33	4.87	-12.56	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]acetamide N-(2-amino-4-chloro-phenyl)-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)	2.33	4.92	-10.78	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-4-chloro-phenyl)-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)	2.33	4.76	-13.65	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]acetamide N-(5-amino-2-fluoro-phenyl)-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)	1.40	4.07	-12.13	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(5-amino-2-fluoro-phenyl)-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)	1.40	4.17	-11.12	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]acetamide N-(5-amino-2-fluoro-phenyl)-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)	1.40	4.22	-9.81	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(5-amino-2-fluoro-phenyl)-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)	1.40	4.07	-12.18	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-chloro-phenyl)-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)	2.33	4.55	-13.23	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-chloro-phenyl)-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)	2.33	4.66	-12.06	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-chloro-phenyl)-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)	2.33	4.71	-10.49	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-chloro-phenyl)-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)	2.33	4.55	-13.28	3	5	0	74	312.797	5	↓ MOL2 SDF SMILES Flexibase

70322495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-methyl-phenyl)-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)	2.10	4.75	-14.42	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-methyl-phenyl)-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)	2.10	4.9	-11.61	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-methyl-phenyl)-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)	2.10	4.85	-13.27	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]acetamide N-(3-amino-4-methyl-phenyl)-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)	2.10	4.75	-14.39	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]acetamide N-(2-amino-5-fluoro-phenyl)-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)	1.81	4.31	-16.91	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-5-fluoro-phenyl)-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)	1.81	4.41	-15.63	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]acetamide N-(2-amino-5-fluoro-phenyl)-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)	1.81	4.46	-13.78	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-5-fluoro-phenyl)-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)	1.81	4.31	-16.87	3	5	0	74	296.342	5	↓ MOL2 SDF SMILES Flexibase

70322583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]-N-methyl-acetamide N-(4-aminophenyl)-2-[(1R,3S)-3-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)	1.56	5.82	-14.85	2	5	0	65	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]-N-methyl-acetamide N-(4-aminophenyl)-2-[(1S,3S)-3-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)	1.56	5.97	-12.11	2	5	0	65	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[(1R,3R)-3-methoxycyclohexoxy]-N-methyl-acetamide N-(4-aminophenyl)-2-[(1R,3R)-3-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)	1.56	5.92	-13.6	2	5	0	65	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[(1S,3R)-3-methoxycyclohexoxy]-N-methyl-acetamide N-(4-aminophenyl)-2-[(1S,3R)-3-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)	1.56	5.82	-14.83	2	5	0	65	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methyl-phenyl)-2-[(1R,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-4-methyl-phenyl)-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)	2.10	4.92	-14.23	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

70322592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methyl-phenyl)-2-[(1S,3S)-3-methoxycyclohexoxy]acetamide N-(2-amino-4-methyl-phenyl)-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)	2.10	5.07	-11.55	3	5	0	74	292.379	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 48600
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 = 48600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=48600&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": "48600"        

    });
</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