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

35624044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[(3S)-3-hydroxy-1-piperidyl]-2-oxo-ethyl]benzamide 4-amino-N-[2-[(3S)-3-hydroxy-1-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)	-0.68	-0.28	-11.06	4	6	0	96	277.324	3	↓ MOL2 SDF SMILES Flexibase

35624046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[(3R)-3-hydroxy-1-piperidyl]-2-oxo-ethyl]benzamide 4-amino-N-[2-[(3R)-3-hydroxy-1-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)	-0.68	-0.26	-11.1	4	6	0	96	277.324	3	↓ MOL2 SDF SMILES Flexibase

36135488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[(2R)-2-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]benzamide 4-amino-N-[2-[(2R)-2-(hydroxymet…

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)	-0.18	1.81	-10.27	4	6	0	96	291.351	4	↓ MOL2 SDF SMILES Flexibase

36135489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[(2S)-2-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]benzamide 4-amino-N-[2-[(2S)-2-(hydroxymet…

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)	-0.18	1.72	-10.24	4	6	0	96	291.351	4	↓ MOL2 SDF SMILES Flexibase

62305343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dichloro-N-[(1R)-2-[(3S)-3-ethoxy-1-piperidyl]-1-methyl-2-oxo-ethyl]benzamide 2,3-dichloro-N-[(1R)-2-[(3S)-3-e…

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)	2.82	6.76	-10.57	1	5	0	59	373.28	5	↓ MOL2 SDF SMILES Flexibase

53889405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-amino-2-oxo-ethyl)-1-piperidyl]-2-oxo-ethyl]-3,5-dimethyl-benzamide N-[2-[4-(2-amino-2-oxo-ethyl)-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)	1.26	3.91	-14.88	3	6	0	93	331.416	5	↓ MOL2 SDF SMILES Flexibase

53889419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-amino-2-oxo-ethyl)-1-piperidyl]-2-oxo-ethyl]-3,4-dimethyl-benzamide N-[2-[4-(2-amino-2-oxo-ethyl)-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)	1.26	3.81	-15.07	3	6	0	93	331.416	5	↓ MOL2 SDF SMILES Flexibase

53889926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-amino-2-oxo-ethyl)-1-piperidyl]-2-oxo-ethyl]-2,4-difluoro-benzamide N-[2-[4-(2-amino-2-oxo-ethyl)-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)	0.70	2.73	-15.85	3	6	0	93	339.342	5	↓ MOL2 SDF SMILES Flexibase

58005478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[acetyl(methyl)amino]-1-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[2-[4-[acetyl(methyl)amino]-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)	0.43	5.43	-13.87	1	6	0	70	335.379	4	↓ MOL2 SDF SMILES Flexibase

58327463

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)	2.64	9.82	-17.97	0	6	0	67	419.28	6	↓ MOL2 SDF SMILES Flexibase

58342265

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)	1.31	8.43	-25.54	0	9	0	104	467.588	10	↓ MOL2 SDF SMILES Flexibase

58342266

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)	1.31	8.43	-26.03	0	9	0	104	467.588	10	↓ MOL2 SDF SMILES Flexibase

58343199

Analogs

39634721
39634722
39679178
39679179

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethyl-piperidine-3-carboxamide (3S)-1-[2-[(4-ethoxybenzoyl)amin…

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)	0.60	5.23	-13.1	1	7	0	79	361.442	6	↓ MOL2 SDF SMILES Flexibase

58343200

Analogs

39634721
39634722
39679178
39679179
39683841

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethyl-piperidine-3-carboxamide (3R)-1-[2-[(4-ethoxybenzoyl)amin…

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)	0.60	5.31	-13.08	1	7	0	79	361.442	6	↓ MOL2 SDF SMILES Flexibase

68883075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]benzamide 2-methyl-N-[2-[(3S)-3-methyl-1-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)	2.03	6.48	-8.24	1	4	0	49	274.364	3	↓ MOL2 SDF SMILES Flexibase

68883076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]benzamide 2-methyl-N-[2-[(3R)-3-methyl-1-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)	2.03	6.5	-8.28	1	4	0	49	274.364	3	↓ MOL2 SDF SMILES Flexibase

68883107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-diethoxy-N-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]benzamide 3,4-diethoxy-N-[2-[(3S)-3-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)	2.03	6.86	-11	1	6	0	68	348.443	7	↓ MOL2 SDF SMILES Flexibase

68883108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-diethoxy-N-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]benzamide 3,4-diethoxy-N-[2-[(3R)-3-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)	2.03	6.87	-11	1	6	0	68	348.443	7	↓ MOL2 SDF SMILES Flexibase

68883109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butoxy-N-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]benzamide 4-butoxy-N-[2-[(3S)-3-methyl-1-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)	3.12	7.62	-8.67	1	5	0	59	332.444	7	↓ MOL2 SDF SMILES Flexibase

68883111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-butoxy-N-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]benzamide 4-butoxy-N-[2-[(3R)-3-methyl-1-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)	3.12	7.64	-8.69	1	5	0	59	332.444	7	↓ MOL2 SDF SMILES Flexibase

14245378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-[2-oxo-2-(1-piperidyl)ethyl]benzamide 3,4,5-trimethoxy-N-[2-oxo-2-(1-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)	1.02	4.38	-11.22	1	7	0	77	336.388	6	↓ MOL2 SDF SMILES Flexibase

68883492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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	7.07	-7.91	1	4	0	49	288.391	3	↓ MOL2 SDF SMILES Flexibase

68883493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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	7.31	-8.13	1	4	0	49	288.391	3	↓ MOL2 SDF SMILES Flexibase

68883495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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	7.31	-7.81	1	4	0	49	288.391	3	↓ MOL2 SDF SMILES Flexibase

68884085

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)	1.89	7.45	-12.2	1	6	0	76	332.4	6	↓ MOL2 SDF SMILES Flexibase

68954761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]benzamide 2-methyl-N-[2-(4-methyl-1-piperi…

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)	2.03	6.51	-8.15	1	4	0	49	274.364	3	↓ MOL2 SDF SMILES Flexibase

69048254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]-3-nitro-benzamide 4-chloro-N-[(1S)-2-methyl-1-[(2R…

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	8.98	-10.5	1	7	0	95	381.86	5	↓ MOL2 SDF SMILES Flexibase

69048256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]-3-nitro-benzamide 4-chloro-N-[(1S)-2-methyl-1-[(2S…

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	8.97	-10.74	1	7	0	95	381.86	5	↓ MOL2 SDF SMILES Flexibase

69048260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]butyl]benzamide N-[(1S,2R)-2-methyl-1-[(2S)-2-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)	3.33	8.61	-6.48	1	4	0	49	316.445	5	↓ MOL2 SDF SMILES Flexibase

69048262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]butyl]benzamide N-[(1S,2S)-2-methyl-1-[(2S)-2-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)	3.33	8.53	-7.43	1	4	0	49	316.445	5	↓ MOL2 SDF SMILES Flexibase

69048264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]butyl]benzamide N-[(1R,2R)-2-methyl-1-[(2S)-2-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)	3.33	8.35	-6.98	1	4	0	49	316.445	5	↓ MOL2 SDF SMILES Flexibase

69048266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]butyl]benzamide N-[(1R,2S)-2-methyl-1-[(2S)-2-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)	3.33	8.6	-6.32	1	4	0	49	316.445	5	↓ MOL2 SDF SMILES Flexibase

69048307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide 2-chloro-N-[(1R)-2-methyl-1-[(2R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	8.24	-8.03	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide 2-chloro-N-[(1R)-2-methyl-1-[(2S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	8.23	-7.76	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide 2-chloro-N-[(1S)-2-methyl-1-[(2R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	8.01	-7.79	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide 2-chloro-N-[(1S)-2-methyl-1-[(2S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	8.13	-8.11	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide N-[(1R)-2-methyl-1-[(2R)-2-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)	2.83	7.72	-7.34	1	4	0	49	302.418	4	↓ MOL2 SDF SMILES Flexibase

69048327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide N-[(1R)-2-methyl-1-[(2S)-2-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)	2.83	7.71	-6.97	1	4	0	49	302.418	4	↓ MOL2 SDF SMILES Flexibase

69048329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide N-[(1S)-2-methyl-1-[(2R)-2-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)	2.83	7.5	-7.07	1	4	0	49	302.418	4	↓ MOL2 SDF SMILES Flexibase

69048330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide N-[(1S)-2-methyl-1-[(2S)-2-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)	2.83	7.62	-7.33	1	4	0	49	302.418	4	↓ MOL2 SDF SMILES Flexibase

69048334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1R)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-fluoro-N-[(1R)-2-methyl-1-[(2R…

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)	2.99	8.05	-6.21	1	4	0	49	320.408	4	↓ MOL2 SDF SMILES Flexibase

69048336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1R)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-fluoro-N-[(1R)-2-methyl-1-[(2S…

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)	2.99	7.99	-6.04	1	4	0	49	320.408	4	↓ MOL2 SDF SMILES Flexibase

69048338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-fluoro-N-[(1S)-2-methyl-1-[(2R…

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)	2.99	7.97	-6.29	1	4	0	49	320.408	4	↓ MOL2 SDF SMILES Flexibase

69048339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-fluoro-N-[(1S)-2-methyl-1-[(2S…

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)	2.99	8	-6.54	1	4	0	49	320.408	4	↓ MOL2 SDF SMILES Flexibase

69048426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-chloro-N-[(1R)-2-methyl-1-[(2R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	8.24	-6.1	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-chloro-N-[(1R)-2-methyl-1-[(2S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	8.24	-5.86	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-methyl-1-[(2R)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-chloro-N-[(1S)-2-methyl-1-[(2R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	8.02	-5.9	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69048433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-2-methyl-1-[(2S)-2-methylpiperidine-1-carbonyl]propyl]benzamide 4-chloro-N-[(1S)-2-methyl-1-[(2S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	8.14	-6.16	1	4	0	49	336.863	4	↓ MOL2 SDF SMILES Flexibase

69127949

Analogs

21003243

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-2-methyl-1-(piperidine-1-carbonyl)propyl]benzamide 2-methyl-N-[(1R)-2-methyl-1-(pip…

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)	2.90	7.84	-7.47	1	4	0	49	302.418	4	↓ MOL2 SDF SMILES Flexibase

69127963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-tert-butyl-N-[(1R)-1-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)	3.43	8.17	-8.22	1	4	0	49	316.445	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 18786
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 = 18786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18786&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": "18786"        

    });
</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