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

32474778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(S)-(4-chlorophenyl)-phenyl-methyl]-3-nitro-benzamide 4-amino-N-[(S)-(4-chlorophenyl)-…

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)	4.36	9.98	-17.04	3	6	0	101	381.819	5	↓ MOL2 SDF SMILES Flexibase

32474780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(R)-(4-chlorophenyl)-phenyl-methyl]-3-nitro-benzamide 4-amino-N-[(R)-(4-chlorophenyl)-…

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)	4.36	9.98	-16.95	3	6	0	101	381.819	5	↓ MOL2 SDF SMILES Flexibase

32474963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-(2-cyanoethylsulfamoyl)benzamide N-[(S)-(4-chlorophenyl)-phenyl-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)	3.51	8.77	-23.73	2	6	0	99	453.951	8	↓ MOL2 SDF SMILES Flexibase

32474965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-chlorophenyl)-phenyl-methyl]-4-(2-cyanoethylsulfamoyl)benzamide N-[(R)-(4-chlorophenyl)-phenyl-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)	3.51	8.78	-23.75	2	6	0	99	453.951	8	↓ MOL2 SDF SMILES Flexibase

32475010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-chlorophenyl)-phenyl-methyl]-3-[methoxy(methyl)sulfamoyl]benzamide N-[(S)-(4-chlorophenyl)-phenyl-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)	4.23	9.33	-20.07	1	6	0	76	444.94	7	↓ MOL2 SDF SMILES Flexibase

32475012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-chlorophenyl)-phenyl-methyl]-3-[methoxy(methyl)sulfamoyl]benzamide N-[(R)-(4-chlorophenyl)-phenyl-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)	4.23	9.17	-19.62	1	6	0	76	444.94	7	↓ MOL2 SDF SMILES Flexibase

32475102

Analogs

6290444

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-[(S)-(4-chlorophenyl)-phenyl-methyl]benzamide 4-(2-amino-2-oxo-ethoxy)-N-[(S)-…

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)	3.77	8.62	-17.53	3	5	0	81	394.858	7	↓ MOL2 SDF SMILES Flexibase

32475104

Analogs

6290444

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-[(R)-(4-chlorophenyl)-phenyl-methyl]benzamide 4-(2-amino-2-oxo-ethoxy)-N-[(R)-…

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)	3.77	8.62	-17.54	3	5	0	81	394.858	7	↓ MOL2 SDF SMILES Flexibase

52936249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-benzhydryl-4-fluoro-benzamide 3-acetamido-N-benzhydryl-4-fluor…

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)	3.62	9.68	-17.88	2	4	0	58	362.404	5	↓ MOL2 SDF SMILES Flexibase

53457120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetamido-2-fluoro-N-[(S)-(4-fluorophenyl)-phenyl-methyl]benzamide 5-acetamido-2-fluoro-N-[(S)-(4-f…

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)	3.78	9.72	-18.58	2	4	0	58	380.394	5	↓ MOL2 SDF SMILES Flexibase

53457121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetamido-2-fluoro-N-[(R)-(4-fluorophenyl)-phenyl-methyl]benzamide 5-acetamido-2-fluoro-N-[(R)-(4-f…

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)	3.78	9.72	-18.23	2	4	0	58	380.394	5	↓ MOL2 SDF SMILES Flexibase

53487016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-[(R)-(4-ethoxyphenyl)-phenyl-methyl]-4-fluoro-benzamide 3-acetamido-N-[(R)-(4-ethoxyphen…

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)	4.05	9.91	-18.34	2	5	0	67	406.457	7	↓ MOL2 SDF SMILES Flexibase

53487020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-[(S)-(4-ethoxyphenyl)-phenyl-methyl]-4-fluoro-benzamide 3-acetamido-N-[(S)-(4-ethoxyphen…

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)	4.05	9.9	-18.39	2	5	0	67	406.457	7	↓ MOL2 SDF SMILES Flexibase

13011988

Analogs

13011989

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-cyanoethylsulfamoyl)-N-[(S)-(3,4-dimethylphenyl)-phenyl-methyl]benzamide 4-(2-cyanoethylsulfamoyl)-N-[(S)…

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)	3.66	9.39	-20.86	2	6	0	99	447.56	8	↓ MOL2 SDF SMILES Flexibase

13011989

Analogs

13011988

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-cyanoethylsulfamoyl)-N-[(R)-(3,4-dimethylphenyl)-phenyl-methyl]benzamide 4-(2-cyanoethylsulfamoyl)-N-[(R)…

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)	3.66	9.39	-20.91	2	6	0	99	447.56	8	↓ MOL2 SDF SMILES Flexibase

62590045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-[(S)-(4-bromophenyl)-phenyl-methyl]-3,5-dimethoxy-benzamide 4-(2-amino-2-oxo-ethoxy)-N-[(S)-…

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)	3.48	8.29	-19.91	3	7	0	100	499.361	9	↓ MOL2 SDF SMILES Flexibase

62590046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-[(R)-(4-bromophenyl)-phenyl-methyl]-3,5-dimethoxy-benzamide 4-(2-amino-2-oxo-ethoxy)-N-[(R)-…

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)	3.48	8.3	-20.11	3	7	0	100	499.361	9	↓ MOL2 SDF SMILES Flexibase

57274679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]terephthalamide N1-[(S)-(4-fluorophenyl)-(4-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)	3.35	6.83	-15.12	3	5	0	81	378.403	6	↓ MOL2 SDF SMILES Flexibase

57274680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]terephthalamide N1-[(R)-(4-fluorophenyl)-(4-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)	3.35	6.82	-15.14	3	5	0	81	378.403	6	↓ MOL2 SDF SMILES Flexibase

59110368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[bis(4-fluorophenyl)methyl]benzamide N-[bis(4-fluorophenyl)methyl]ben…

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)	4.63	10.81	-10.84	1	2	0	29	323.342	4	↓ MOL2 SDF SMILES Flexibase

61441534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-5-methoxy-2-nitro-N-[(S)-phenyl(p-tolyl)methyl]benzamide 4-ethoxy-5-methoxy-2-nitro-N-[(S…

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)	4.66	12.85	-14.67	1	7	0	93	420.465	8	↓ MOL2 SDF SMILES Flexibase

14576948

Analogs

14388818
14388819
13115095

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(dimethylsulfamoyl)-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-5-(dimethylsulfamoyl)-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)	4.67	9.86	-13.64	1	5	0	66	442.968	6	↓ MOL2 SDF SMILES Flexibase

14576949

Analogs

13115095

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-5-(dimethylsulfamoyl)-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)	4.67	9.87	-13.12	1	5	0	66	442.968	6	↓ MOL2 SDF SMILES Flexibase

14577012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylsulfanyl-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-methylsulfanyl-N-[(S)-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)	5.14	12.35	-11.25	1	2	0	29	347.483	5	↓ MOL2 SDF SMILES Flexibase

14577013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylsulfanyl-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-methylsulfanyl-N-[(R)-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)	5.14	12.36	-11.25	1	2	0	29	347.483	5	↓ MOL2 SDF SMILES Flexibase

14577084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-methylsulfonyl-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-5-methylsulfonyl-N-[(S)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	9.41	-16.74	1	4	0	63	413.926	5	↓ MOL2 SDF SMILES Flexibase

14577085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-methylsulfonyl-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-5-methylsulfonyl-N-[(R)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	9.42	-16.13	1	4	0	63	413.926	5	↓ MOL2 SDF SMILES Flexibase

14577086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methylsulfonyl-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 3-methylsulfonyl-N-[(S)-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)	3.60	8.88	-19.42	1	4	0	63	379.481	5	↓ MOL2 SDF SMILES Flexibase

14577087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methylsulfonyl-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 3-methylsulfonyl-N-[(R)-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)	3.60	8.88	-19.35	1	4	0	63	379.481	5	↓ MOL2 SDF SMILES Flexibase

14577180

Analogs

3347510

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methylsulfonyl-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 4-methylsulfonyl-N-[(S)-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)	3.63	8.89	-17.3	1	4	0	63	379.481	5	↓ MOL2 SDF SMILES Flexibase

14577181

Analogs

3347510

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methylsulfonyl-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 4-methylsulfonyl-N-[(R)-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)	3.63	8.9	-17.08	1	4	0	63	379.481	5	↓ MOL2 SDF SMILES Flexibase

14577210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-nitro-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-nitro-N-[(S)-phenyl-(p-tolyl)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)	4.67	12.67	-19.27	1	5	0	75	346.386	5	↓ MOL2 SDF SMILES Flexibase

14577211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-nitro-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-nitro-N-[(R)-phenyl-(p-tolyl)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)	4.67	12.67	-17.92	1	5	0	75	346.386	5	↓ MOL2 SDF SMILES Flexibase

14577214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-N-[(S)-phenyl-(p-tolyl)…

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)	5.39	11.86	-11.33	1	2	0	29	335.834	4	↓ MOL2 SDF SMILES Flexibase

14577215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-N-[(R)-phenyl-(p-tolyl)…

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)	5.39	11.88	-11.31	1	2	0	29	335.834	4	↓ MOL2 SDF SMILES Flexibase

14577222

Analogs

5735617

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-methoxy-N-[(S)-phenyl-(p-tolyl…

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)	5.31	11.89	-13.08	1	3	0	38	331.415	5	↓ MOL2 SDF SMILES Flexibase

14577223

Analogs

5735617

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-methoxy-N-[(R)-phenyl-(p-tolyl…

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)	5.31	11.89	-13.09	1	3	0	38	331.415	5	↓ MOL2 SDF SMILES Flexibase

14577224

Analogs

44849920
44849924
44903423
44903425
14425867

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-nitro-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-5-nitro-N-[(S)-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)	5.32	12.53	-9.33	1	5	0	75	380.831	5	↓ MOL2 SDF SMILES Flexibase

14577225

Analogs

44849920
44849924
44903423
44903425
14425867

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-nitro-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-chloro-5-nitro-N-[(R)-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)	5.32	12.53	-9.31	1	5	0	75	380.831	5	↓ MOL2 SDF SMILES Flexibase

14577230

Analogs

25446132
25446136

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-phenyl-(p-tolyl)methyl]-2-(trifluoromethyl)benzamide N-[(S)-phenyl-(p-tolyl)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)	5.60	12.38	-13.82	1	2	0	29	369.386	5	↓ MOL2 SDF SMILES Flexibase

14577231

Analogs

25446132
25446136

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-phenyl-(p-tolyl)methyl]-2-(trifluoromethyl)benzamide N-[(R)-phenyl-(p-tolyl)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)	5.60	12.38	-13.83	1	2	0	29	369.386	5	↓ MOL2 SDF SMILES Flexibase

14577232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 4-methoxy-N-[(S)-phenyl-(p-tolyl…

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)	4.81	10.67	-10.73	1	3	0	38	331.415	5	↓ MOL2 SDF SMILES Flexibase

14577233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 4-methoxy-N-[(R)-phenyl-(p-tolyl…

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)	4.81	10.66	-10.79	1	3	0	38	331.415	5	↓ MOL2 SDF SMILES Flexibase

14577252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-iodo-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-iodo-N-[(S)-phenyl-(p-tolyl)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)	5.79	12.42	-9.61	1	2	0	29	427.285	4	↓ MOL2 SDF SMILES Flexibase

14577253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-iodo-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-iodo-N-[(R)-phenyl-(p-tolyl)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)	5.79	12.43	-9.54	1	2	0	29	427.285	4	↓ MOL2 SDF SMILES Flexibase

14577260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2-methyl-N-[(S)-phenyl-(p-tolyl)…

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)	5.16	12.01	-8.89	1	2	0	29	315.416	4	↓ MOL2 SDF SMILES Flexibase

14577261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2-methyl-N-[(R)-phenyl-(p-tolyl)…

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)	5.16	12.02	-8.97	1	2	0	29	315.416	4	↓ MOL2 SDF SMILES Flexibase

14577268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 2,4-dimethoxy-N-[(S)-phenyl-(p-t…

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)	5.35	11.21	-13.66	1	4	0	48	361.441	6	↓ MOL2 SDF SMILES Flexibase

14577269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethoxy-N-[(R)-phenyl-(p-tolyl)methyl]benzamide 2,4-dimethoxy-N-[(R)-phenyl-(p-t…

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)	5.35	11.21	-13.69	1	4	0	48	361.441	6	↓ MOL2 SDF SMILES Flexibase

14577270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethoxy-N-[(S)-phenyl-(p-tolyl)methyl]benzamide 3,5-dimethoxy-N-[(S)-phenyl-(p-t…

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)	4.80	9.96	-11.19	1	4	0	48	361.441	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12515
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 = 12515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12515&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": "12515"        

    });
</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