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

13256770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	1.34	6.26	-63.43	1	7	-1	100	357.777	6	↓ MOL2 SDF SMILES Flexibase

13256771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	1.34	6.28	-62.48	1	7	-1	100	357.777	6	↓ MOL2 SDF SMILES Flexibase

13257128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.31	4.95	-69.01	1	9	-1	118	383.384	8	↓ MOL2 SDF SMILES Flexibase

13257129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.31	4.99	-68.39	1	9	-1	118	383.384	8	↓ MOL2 SDF SMILES Flexibase

13257707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.82	5.8	-63.61	1	7	-1	100	341.322	6	↓ MOL2 SDF SMILES Flexibase

13257708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.82	5.82	-62.67	1	7	-1	100	341.322	6	↓ MOL2 SDF SMILES Flexibase

13258103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	1.11	6.41	-66.65	1	7	-1	100	337.359	6	↓ MOL2 SDF SMILES Flexibase

13258104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	1.11	6.43	-65.61	1	7	-1	100	337.359	6	↓ MOL2 SDF SMILES Flexibase

13259047

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-chlorophenyl)propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	1.29	6.63	-56.88	1	7	-1	100	357.777	6	↓ MOL2 SDF SMILES Flexibase

13259048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-chlorophenyl)propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	1.29	7.11	-57.89	1	7	-1	100	357.777	6	↓ MOL2 SDF SMILES Flexibase

13261556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]benzoic 4-[[[2-(benzotriazol-1-yl)acetyl…

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)	1.77	5.01	-61.09	1	7	-1	100	309.305	5	↓ MOL2 SDF SMILES Flexibase

13427216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.72	5.04	-67.12	1	8	-1	109	353.358	7	↓ MOL2 SDF SMILES Flexibase

13427218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.72	5.05	-66.28	1	8	-1	109	353.358	7	↓ MOL2 SDF SMILES Flexibase

13427802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenyl-propanoic (3R)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.66	5.74	-66.31	1	7	-1	100	323.332	6	↓ MOL2 SDF SMILES Flexibase

13427803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenyl-propanoic (3S)-3-[[2-(benzotriazol-1-yl)ac…

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)	0.66	5.76	-65.3	1	7	-1	100	323.332	6	↓ MOL2 SDF SMILES Flexibase

14230665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide 2-(benzotriazol-1-yl)-N-[(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)	3.05	6.67	-19.18	1	5	0	60	314.776	4	↓ MOL2 SDF SMILES Flexibase

14230668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide 2-(benzotriazol-1-yl)-N-[(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)	3.05	6.7	-19.77	1	5	0	60	314.776	4	↓ MOL2 SDF SMILES Flexibase

14259741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(2,3-di…

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)	3.37	9	-18.41	0	5	0	51	349.221	4	↓ MOL2 SDF SMILES Flexibase

14259842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(2-chlo…

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)	2.73	8.53	-18.06	0	5	0	51	314.776	4	↓ MOL2 SDF SMILES Flexibase

14260008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(2,4-di…

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)	2.15	7.37	-20.33	0	7	0	69	340.383	6	↓ MOL2 SDF SMILES Flexibase

14260085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[[4-(dif…

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)	2.31	6.92	-22.67	0	7	0	69	376.363	7	↓ MOL2 SDF SMILES Flexibase

69754307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(3-meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.14	6.74	-23.1	0	6	0	60	310.357	5	↓ MOL2 SDF SMILES Flexibase

69754502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(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)	2.16	6.74	-20.06	0	6	0	60	310.357	5	↓ MOL2 SDF SMILES Flexibase

69755395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(4-fluo…

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)	2.27	7.51	-19.97	0	5	0	51	298.321	4	↓ MOL2 SDF SMILES Flexibase

69755407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(1R)-1-(4-isopropylphenyl)ethyl]acetamide 2-(benzotriazol-1-yl)-N-[(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)	3.93	8.16	-16.75	1	5	0	60	322.412	5	↓ MOL2 SDF SMILES Flexibase

69755411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(1S)-1-(4-isopropylphenyl)ethyl]acetamide 2-(benzotriazol-1-yl)-N-[(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)	3.93	8.16	-17.27	1	5	0	60	322.412	5	↓ MOL2 SDF SMILES Flexibase

69755824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(2-fluorophenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(2-fluo…

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)	2.22	7.47	-22.53	0	5	0	51	298.321	4	↓ MOL2 SDF SMILES Flexibase

69755862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[[4-(dif…

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)	2.72	7.03	-23.71	0	6	0	60	346.337	6	↓ MOL2 SDF SMILES Flexibase

69756049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methyl]-N-methyl-acetamide 2-(benzotriazol-1-yl)-N-[(4-chlo…

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	7.97	-19.23	0	5	0	51	314.776	4	↓ MOL2 SDF SMILES Flexibase

69757092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide 2-(benzotriazol-1-yl)-N-methyl-N…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.45	-19.89	0	5	0	51	348.328	5	↓ MOL2 SDF SMILES Flexibase

69773079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide 2-(benzotriazol-1-yl)-N-ethyl-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)	2.62	8.43	-21.63	0	5	0	51	312.348	5	↓ MOL2 SDF SMILES Flexibase

69813801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methyl-amino]-2-(3-fluorophenyl)acetamide (2S)-2-[[2-(benzotriazol-1-yl)ac…

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)	1.16	3.92	-19.97	2	7	0	94	341.346	5	↓ MOL2 SDF SMILES Flexibase

69813803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-methyl-amino]-2-(3-fluorophenyl)acetamide (2R)-2-[[2-(benzotriazol-1-yl)ac…

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)	1.16	3.93	-17.82	2	7	0	94	341.346	5	↓ MOL2 SDF SMILES Flexibase

69967710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzotriazol-1-yl)-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]acetamide 2-(benzotriazol-1-yl)-N-[[3-(2,2…

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)	2.46	5.93	-21.8	1	6	0	69	346.337	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 119399
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 = 119399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=119399&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": "119399"        

    });
</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