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

10506218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-[4-(difluoromethylsulfanyl)phe…

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	0.99	-17.91	1	7	0	81	383.405	6	↓ MOL2 SDF SMILES Flexibase

10506837

Analogs

25801443

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-[(4-chlorophenyl)methyl]-2-[5-…

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)	1.69	-0.64	-15.03	1	7	0	81	349.803	5	↓ MOL2 SDF SMILES Flexibase

10507154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-bromophenyl)-2-[5-oxo-4-(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)	2.12	-0.45	-16.51	1	7	0	81	380.227	4	↓ MOL2 SDF SMILES Flexibase

10507843

Analogs

8735563

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(3,4-dichlorophenyl)-2-[5-oxo-…

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)	2.60	0.04	-18.55	1	7	0	81	370.221	4	↓ MOL2 SDF SMILES Flexibase

10507878

Analogs

25813830

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-(2,4,6-trimethylphenyl)-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	1.58	1.62	-16.27	1	7	0	81	343.412	4	↓ MOL2 SDF SMILES Flexibase

10507959

Analogs

31792297

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2,5-dichlorophenyl)-2-[5-oxo-…

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)	2.60	0.19	-14.87	1	7	0	81	370.221	4	↓ MOL2 SDF SMILES Flexibase

10508184

Analogs

31792271

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methylsulfanylphenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(3-methylsulfanylphenyl)-2-[5-…

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)	1.72	-0.05	-19.53	1	7	0	81	347.425	5	↓ MOL2 SDF SMILES Flexibase

10508203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-diethylaminophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-diethylaminophenyl)-2-[5-ox…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	0.83	-17.21	1	8	0	85	372.454	7	↓ MOL2 SDF SMILES Flexibase

10508223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(3-chloro-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)	2.37	0.49	-18.38	1	7	0	81	349.803	4	↓ MOL2 SDF SMILES Flexibase

10508233

Analogs

31792271
31793440

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-naphthyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(1-naphthyl)-2-[5-oxo-4-(2-thi…

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)	2.47	0.66	-17.56	1	7	0	81	351.391	4	↓ MOL2 SDF SMILES Flexibase

10508303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-chlorophenyl)-2-[5-oxo-4-(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)	1.99	0.16	-16.54	1	7	0	81	335.776	4	↓ MOL2 SDF SMILES Flexibase

10508336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-iodophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2-iodophenyl)-2-[5-oxo-4-(2-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)	2.35	-0.25	-13.74	1	7	0	81	427.227	4	↓ MOL2 SDF SMILES Flexibase

10508406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-thiazol-2-yl-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	0.37	-0.78	-21.3	1	8	0	94	308.348	4	↓ MOL2 SDF SMILES Flexibase

10508661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl) (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)	2.16	2.83	-12.82	0	7	0	79	336.76	5	↓ MOL2 SDF SMILES Flexibase

10508881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl) (3-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)	2.13	2.83	-13.68	0	7	0	79	336.76	5	↓ MOL2 SDF SMILES Flexibase

10509041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diisopropylphenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2,6-diisopropylphenyl)-2-[5-o…

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)	2.36	2.32	-15.41	1	7	0	81	385.493	6	↓ MOL2 SDF SMILES Flexibase

10509229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(3-chloro-2-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)	2.35	0.7	-15.58	1	7	0	81	349.803	4	↓ MOL2 SDF SMILES Flexibase

10509347

Analogs

8735563

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(3,5-dichlorophenyl)-2-[5-oxo-…

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)	2.60	0.02	-16.18	1	7	0	81	370.221	4	↓ MOL2 SDF SMILES Flexibase

10509410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-ethoxybenzothiazol-2-yl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(6-ethoxybenzothiazol-2-yl)-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)	2.28	-1.03	-22.28	1	9	0	103	402.461	6	↓ MOL2 SDF SMILES Flexibase

10509496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-[3-(1-piperidylsulfonyl)phenyl]-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	1.51	-4.43	-26.16	1	10	0	119	448.53	6	↓ MOL2 SDF SMILES Flexibase

10509971

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)	1.86	1.41	-19.22	1	9	0	108	373.394	7	↓ MOL2 SDF SMILES Flexibase

10510022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-[3,5-bis(trifluoromethyl)pheny…

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)	3.03	4.66	-17.44	1	7	0	81	437.325	6	↓ MOL2 SDF SMILES Flexibase

10510067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2-chloro-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)	2.37	0.66	-14.26	1	7	0	81	349.803	4	↓ MOL2 SDF SMILES Flexibase

10510108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butyl butyl

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)	2.92	1.61	-18.88	1	9	0	108	401.448	9	↓ MOL2 SDF SMILES Flexibase

10510115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-(4-phenylazophenyl)-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	3.51	0.57	-22.32	1	9	0	106	405.443	6	↓ MOL2 SDF SMILES Flexibase

10510137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-iodophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-iodophenyl)-2-[5-oxo-4-(2-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)	2.40	-0.53	-16.26	1	7	0	81	427.227	4	↓ MOL2 SDF SMILES Flexibase

10510264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-chloro-3-morpholinosulfonyl…

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)	1.08	-5.55	-24.82	1	11	0	128	484.947	6	↓ MOL2 SDF SMILES Flexibase

10510333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-cyanophenyl)phenyl] [4-(4-cyanophenyl)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)	3.03	11.22	-17.41	0	8	0	103	403.423	6	↓ MOL2 SDF SMILES Flexibase

10510389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-dibenzofuran-2-yl-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-dibenzofuran-2-yl-2-[5-oxo-4-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	0.58	-22.27	1	8	0	94	391.412	4	↓ MOL2 SDF SMILES Flexibase

10510466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetyl]amino-N-[3-(trifluoromethyl)phenyl]-benzamide 3-[2-[5-oxo-4-(2-thienyl)tetrazo…

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	1.72	-30.91	2	9	0	110	488.451	7	↓ MOL2 SDF SMILES Flexibase

10510519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-cyanophenyl)-2-[5-oxo-4-(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)	1.07	1.69	-19.66	1	8	0	105	326.341	4	↓ MOL2 SDF SMILES Flexibase

10510615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(indolin-1-ylcarbonylmethyl)-4-(2-thienyl)tetrazol-5-one 1-(indolin-1-ylcarbonylmethyl)-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	1.05	-14.16	0	7	0	73	327.369	3	↓ MOL2 SDF SMILES Flexibase

10510987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(4-bromo-2-fluoro-phenyl)-2-[5…

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	0.34	-13.77	1	7	0	81	398.217	4	↓ MOL2 SDF SMILES Flexibase

10511067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2-chloro-4-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)	2.08	1.08	-13.82	1	7	0	81	353.766	4	↓ MOL2 SDF SMILES Flexibase

10511140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(3,4-dimethoxyphenyl)-2-[5-oxo…

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)	0.96	0.64	-19.56	1	9	0	100	361.383	6	↓ MOL2 SDF SMILES Flexibase

10511247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dichlorophenyl) (3,4-dichlorophenyl)

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)	2.76	2.7	-13.28	0	7	0	79	371.205	5	↓ MOL2 SDF SMILES Flexibase

10511682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	2.21	2.48	-17.31	1	7	0	81	369.328	5	↓ MOL2 SDF SMILES Flexibase

10511739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxydibenzofuran-3-yl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2-methoxydibenzofuran-3-yl)-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)	2.91	0.71	-21.74	1	9	0	104	421.438	5	↓ MOL2 SDF SMILES Flexibase

10511798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2,5-diethoxy-4-morpholino-phe…

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)	1.98	-2.46	-16.93	1	11	0	112	474.543	9	↓ MOL2 SDF SMILES Flexibase

10512250

Analogs

31084861

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(2,5-dimethoxyphenyl)-2-[5-oxo…

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)	1.36	0.45	-18.93	1	9	0	100	361.383	6	↓ MOL2 SDF SMILES Flexibase

10513205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-1-naphthyl) (4-chloro-1-naphthyl)

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)	3.27	2.95	-14.63	0	7	0	79	386.82	5	↓ MOL2 SDF SMILES Flexibase

10513331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-tetralin-1-yl-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	2.47	0.45	-16.41	1	7	0	81	355.423	4	↓ MOL2 SDF SMILES Flexibase

10513403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-bromo-2-naphthyl) (6-bromo-2-naphthyl)

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)	3.45	2.34	-13.92	0	7	0	79	431.271	5	↓ MOL2 SDF SMILES Flexibase

10514143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylmethyl]-4-(2-thienyl)tetrazol-5-one 1-[(4-pyrimidin-2-ylpiperazin-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)	0.17	-2.18	-19.17	0	10	0	102	372.414	4	↓ MOL2 SDF SMILES Flexibase

10517017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)pheny 2-[5-oxo-4-(2-thienyl)tetrazol-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)	2.09	8.48	-30.15	1	9	0	99	423.483	5	↓ MOL2 SDF SMILES Flexibase

10517068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-BLAHyl-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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)	2.04	-1.14	-20.1	1	9	0	100	409.475	4	↓ MOL2 SDF SMILES Flexibase

10517243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[7-(4-fluorophenyl)-2-thia-5,8-diazabicyclo[3.3.0]octa-3,6,8-trien-6-yl]-2-[5-oxo-4-(2-thienyl)tet N-[7-(4-fluorophenyl)-2-thia-5,8…

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)	2.37	9.59	-20.55	1	9	0	99	441.473	5	↓ MOL2 SDF SMILES Flexibase

10519479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylmethyl]-4-(2-thienyl)tetrazol-5-one 1-[[4-(4-nitrophenyl)piperazin-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)	1.41	-0.78	-21.9	0	11	0	122	415.435	5	↓ MOL2 SDF SMILES Flexibase

10519529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-morpholino-phenyl)-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-acetamide N-(5-chloro-2-morpholino-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)	1.87	-2.15	-17.23	1	9	0	94	420.882	5	↓ MOL2 SDF SMILES Flexibase

29144936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-one 1-(2-chlorophenyl)-4-[(3-isoprop…

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)	1.88	4.64	-13.06	0	8	0	92	320.74	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9295
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 = 9295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9295&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": "9295"        

    });
</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