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

2091536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2-chlorophenyl)-3-(7-keto-3,5…

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)	5.10	2.7	-16.59	1	5	0	72	395.842	4	↓ MOL2 SDF SMILES Flexibase

2091555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-[4-chloro-3-(trifluoromethyl)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)	5.97	4.61	-16.96	1	5	0	72	463.839	5	↓ MOL2 SDF SMILES Flexibase

2091731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-difluorophenyl)-3-(7-keto…

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)	4.95	4.18	-20.8	1	5	0	72	411.404	4	↓ MOL2 SDF SMILES Flexibase

2092107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2-fluorophenyl)-3-(7-keto-3,5…

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)	4.59	3.46	-17.25	1	5	0	72	379.387	4	↓ MOL2 SDF SMILES Flexibase

2092313

Analogs

8765388

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-dimethoxyphenyl)-3-(7-ket…

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)	4.34	3.04	-21.04	1	7	0	90	435.476	6	↓ MOL2 SDF SMILES Flexibase

2092494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butylphenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-butylphenyl)-3-(7-keto-3,5-…

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)	6.34	3.4	-17.35	1	5	0	72	417.505	7	↓ MOL2 SDF SMILES Flexibase

2092511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)-N-[4-(trifluoromethoxy)phenyl]propionamide 3-(7-keto-2,3,5-trimethyl-furo[3…

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)	5.66	4.24	-17.49	1	6	0	81	459.42	6	↓ MOL2 SDF SMILES Flexibase

2092644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-acetylphenyl)-3-(7-keto-2,3…

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)	4.59	3.08	-24.96	1	6	0	89	417.461	5	↓ MOL2 SDF SMILES Flexibase

2092773

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-(p-tolyl)propionamide 3-(7-keto-3,5-dimethyl-furo[3,2-…

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)	4.92	2.99	-17.65	1	5	0	72	375.424	4	↓ MOL2 SDF SMILES Flexibase

2092906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,5-dimethylphenyl)-3-(7-keto…

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)	5.52	3.34	-18.47	1	5	0	72	403.478	4	↓ MOL2 SDF SMILES Flexibase

2092911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2,4-difluorophenyl)-3-(7-keto…

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)	4.73	4.19	-16.23	1	5	0	72	397.377	4	↓ MOL2 SDF SMILES Flexibase

2093000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-ethylphenyl)-3-(7-keto-3,5-…

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)	5.39	3.14	-17.44	1	5	0	72	389.451	5	↓ MOL2 SDF SMILES Flexibase

2093086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3-chloro-4-methyl-phenyl)-3-(…

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)	5.75	12.75	-18.59	1	5	0	72	423.896	4	↓ MOL2 SDF SMILES Flexibase

2093144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2,4-difluorophenyl)-3-(7-keto…

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)	4.95	4.23	-16.41	1	5	0	72	411.404	4	↓ MOL2 SDF SMILES Flexibase

2093213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]benzoic-acid-ethyl-ester 3-[3-(7-keto-3,5-dimethyl-furo[3…

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)	5.00	3.77	-23.29	1	7	0	98	433.46	7	↓ MOL2 SDF SMILES Flexibase

2093257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-difluorophenyl)-3-(7-keto…

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)	4.73	4.15	-20.57	1	5	0	72	397.377	4	↓ MOL2 SDF SMILES Flexibase

2093421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-dichlorophenyl)-3-(7-keto…

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)	5.98	12.63	-18.94	1	5	0	72	444.314	4	↓ MOL2 SDF SMILES Flexibase

2093469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-3-methyl-phenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-bromo-3-methyl-phenyl)-3-(7…

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)	5.66	2.25	-17.88	1	5	0	72	454.32	4	↓ MOL2 SDF SMILES Flexibase

2093535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2,4-dimethylphenyl)-3-(7-keto…

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)	5.52	3.58	-18.37	1	5	0	72	403.478	4	↓ MOL2 SDF SMILES Flexibase

2093666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamid N-[4-chloro-3-(trifluoromethyl)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)	6.20	13.06	-17.25	1	5	0	72	477.866	5	↓ MOL2 SDF SMILES Flexibase

2093914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-dimethylphenyl)-3-(7-keto…

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)	5.52	3.31	-18.58	1	5	0	72	403.478	4	↓ MOL2 SDF SMILES Flexibase

2094074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2-fluorophenyl)-3-(7-keto-2,3…

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	3.49	-17.43	1	5	0	72	393.414	4	↓ MOL2 SDF SMILES Flexibase

2094116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-acetylphenyl)-3-(7-keto-3,5…

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)	4.37	3.15	-24.36	1	6	0	89	403.434	5	↓ MOL2 SDF SMILES Flexibase

2094192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(5-chloro-2,4-dimethoxy-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.12	2.73	-19.66	1	7	0	90	455.894	6	↓ MOL2 SDF SMILES Flexibase

2094201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3-chloro-4-fluoro-phenyl)-3-(…

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)	5.46	12.22	-19.66	1	5	0	72	427.859	4	↓ MOL2 SDF SMILES Flexibase

2094662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dibromophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2,4-dibromophenyl)-3-(7-keto-…

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)	6.02	12.27	-15.09	1	5	0	72	519.189	4	↓ MOL2 SDF SMILES Flexibase

2094702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)-N-(m-tolyl)propionamide 3-(7-keto-2,3,5-trimethyl-furo[3…

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)	5.12	3.02	-18.34	1	5	0	72	389.451	4	↓ MOL2 SDF SMILES Flexibase

2094748

Analogs

2147033

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2,5-dimethylphenyl)-3-(7-keto…

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)	5.52	3.57	-18.4	1	5	0	72	403.478	4	↓ MOL2 SDF SMILES Flexibase

2094813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3-fluoro-4-methyl-phenyl)-3-(…

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)	5.24	3.72	-19.57	1	5	0	72	407.441	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 232170
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 = 232170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=232170&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": "232170"        

    });
</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