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

5778635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (5-phenyl-1,3,4-oxadiazol-2-yl)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)	4.35	8.37	-15.71	0	7	0	88	404.422	7	↓ MOL2 SDF SMILES Flexibase

6728168

Analogs

8439109
8439110

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-benzenesulfonamide 4-ethoxy-N-(7-methyl-6,7,8,9-tet…

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)	5.09	-2.89	-10.69	1	5	0	68	385.485	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.09	-2.32	-44.46	0	5	-1	70	384.477	5	↓ MOL2 SDF SMILES Flexibase

11531584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide N-[2-(1-phenylpyrazol-4-yl)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)	4.03	0.84	-22.08	1	6	0	69	415.493	7	↓ MOL2 SDF SMILES Flexibase

18960890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] [2-(6,7-dimethoxy-3,4-dihydro-1H…

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)	3.70	13.04	-19.63	0	8	0	87	479.529	8	↓ MOL2 SDF SMILES Flexibase

18960906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2-furyl)isoxazol-3-yl]methyl [5-(2-furyl)isoxazol-3-yl]methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.71	11.2	-16.13	0	7	0	88	393.395	7	↓ MOL2 SDF SMILES Flexibase

12214422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] [2-(4-methyl-1-piperidyl)-2-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)	3.83	12.32	-14.89	0	6	0	69	385.46	6	↓ MOL2 SDF SMILES Flexibase

12214424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(1-piperidyl)ethyl] [2-oxo-2-(1-piperidyl)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)	3.59	1.9	-14.93	0	6	0	69	371.433	6	↓ MOL2 SDF SMILES Flexibase

13256690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-chlorophenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[2-(6…

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	11.88	-54.14	1	6	-1	92	426.876	7	↓ MOL2 SDF SMILES Flexibase

13256691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[2-(6…

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	11.81	-54.58	1	6	-1	92	426.876	7	↓ MOL2 SDF SMILES Flexibase

13257066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-(3,4-dimethoxyphenyl)-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)	2.42	9.82	-66.22	1	8	-1	110	452.483	9	↓ MOL2 SDF SMILES Flexibase

13257067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-(3,4-dimethoxyphenyl)-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)	2.42	10.49	-59.29	1	8	-1	110	452.483	9	↓ MOL2 SDF SMILES Flexibase

13257403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenyl-1-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]piperidine-4-carboxylic 4-phenyl-1-[2-(6,7,8,9-tetrahydr…

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)	4.14	13.02	-53.94	0	6	-1	83	432.496	5	↓ MOL2 SDF SMILES Flexibase

13257613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-fluorophenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[2-(6…

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)	2.94	11.43	-54.29	1	6	-1	92	410.421	7	↓ MOL2 SDF SMILES Flexibase

13257614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[2-(6…

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)	2.94	11.36	-54.76	1	6	-1	92	410.421	7	↓ MOL2 SDF SMILES Flexibase

13258009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(p-tolyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-(p-tolyl)-3-[[2-(6,7,8,9-…

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)	3.22	12.04	-56.89	1	6	-1	92	406.458	7	↓ MOL2 SDF SMILES Flexibase

13258010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(p-tolyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-(p-tolyl)-3-[[2-(6,7,8,9-…

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)	3.22	11.97	-57.33	1	6	-1	92	406.458	7	↓ MOL2 SDF SMILES Flexibase

13258379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetic 2-[[4-[[2-(6,7,8,9-tetrahydrodib…

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)	1.80	8.24	-58.39	2	8	-1	121	421.429	7	↓ MOL2 SDF SMILES Flexibase

13258572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 4-methyl-3-[[2-(6,7,8,9-tetrahyd…

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)	4.56	10.45	-75.57	1	6	-1	92	378.404	5	↓ MOL2 SDF SMILES Flexibase

13258777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-6,7-dimethoxy-2-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]-3,4-dihydro-1H-isoquinoli 2-[(1S)-6,7-dimethoxy-2-[2-(6,7,…

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)	3.54	12.62	-70.99	0	8	-1	101	478.521	7	↓ MOL2 SDF SMILES Flexibase

13258778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-6,7-dimethoxy-2-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]-3,4-dihydro-1H-isoquinoli 2-[(1R)-6,7-dimethoxy-2-[2-(6,7,…

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)	3.54	12.26	-73.23	0	8	-1	101	478.521	7	↓ MOL2 SDF SMILES Flexibase

13258969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2-chlorophenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[2-(6…

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)	3.40	12	-58.69	1	6	-1	92	426.876	7	↓ MOL2 SDF SMILES Flexibase

13258970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2-chlorophenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[2-(6…

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)	3.40	11.92	-59.49	1	6	-1	92	426.876	7	↓ MOL2 SDF SMILES Flexibase

13259448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 3-[[2-(6,7,8,9-tetrahydrodibenzo…

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)	4.16	9.67	-74.6	1	6	-1	92	364.377	5	↓ MOL2 SDF SMILES Flexibase

13259664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 4-[[2-(6,7,8,9-tetrahydrodibenzo…

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)	4.18	9.69	-64.75	1	6	-1	92	364.377	5	↓ MOL2 SDF SMILES Flexibase

13259878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-phenyl-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (2S)-3-phenyl-2-[[2-(6,7,8,9-tet…

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	11.18	-62.36	1	6	-1	92	392.431	7	↓ MOL2 SDF SMILES Flexibase

13260035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (2S)-3-(1H-indol-3-yl)-2-[[2-(6,…

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	12.11	-62.08	2	7	-1	107	431.468	7	↓ MOL2 SDF SMILES Flexibase

13260579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]piperidine-3-carboxylic (3R)-1-[2-(6,7,8,9-tetrahydrodib…

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)	2.84	10.03	-63.16	0	6	-1	83	356.398	4	↓ MOL2 SDF SMILES Flexibase

13260580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]piperidine-3-carboxylic (3S)-1-[2-(6,7,8,9-tetrahydrodib…

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)	2.84	9.99	-63.49	0	6	-1	83	356.398	4	↓ MOL2 SDF SMILES Flexibase

13260896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 4,5-dimethoxy-2-[[2-(6,7,8,9-tet…

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)	3.94	9.21	-50.77	1	8	-1	110	424.429	7	↓ MOL2 SDF SMILES Flexibase

13261116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 5-chloro-2-methoxy-4-[[2-(6,7,8,…

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)	4.86	10.3	-62.4	1	7	-1	101	428.848	6	↓ MOL2 SDF SMILES Flexibase

13261335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 2-[[2-(6,7,8,9-tetrahydrodibenzo…

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)	4.32	10.02	-51.91	1	6	-1	92	364.377	5	↓ MOL2 SDF SMILES Flexibase

13261650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[methyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]acetyl]amino]benzoic 2-[[2-[methyl-[2-(6,7,8,9-tetrah…

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)	4.04	11.01	-66.41	1	8	-1	112	435.456	7	↓ MOL2 SDF SMILES Flexibase

13261798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]piperidine-4-carboxylic 1-[2-(6,7,8,9-tetrahydrodibenzof…

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)	2.84	10.03	-56.4	0	6	-1	83	356.398	4	↓ MOL2 SDF SMILES Flexibase

54421916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl]piperidine-4-carboxamide 1-[(2-hydroxy-6,7,8,9-tetrahydro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.06	-48.16	4	5	1	81	329.42	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.64	2.79	-14.24	3	5	0	80	328.412	3	↓ MOL2 SDF SMILES Flexibase

54422574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl-(3-pyridylmethyl)amino]propanenitrile 3-[(2-hydroxy-6,7,8,9-tetrahydro…

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)	2.75	6.97	-12.06	1	5	0	73	361.445	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.75	7.44	-42.14	2	5	1	75	362.453	6	↓ MOL2 SDF SMILES Flexibase

54447849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl]-3-piperidyl]-morpholino-methanone [(3S)-1-[(2-hydroxy-6,7,8,9-tetr…

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)	3.10	8.2	-49.18	2	6	1	67	399.511	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.10	6.16	-11.83	1	6	0	66	398.503	3	↓ MOL2 SDF SMILES Flexibase

54447851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-[(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methyl]-3-piperidyl]-morpholino-methanone [(3R)-1-[(2-hydroxy-6,7,8,9-tetr…

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)	3.10	7.93	-42.09	2	6	1	67	399.511	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.10	5.67	-11.49	1	6	0	66	398.503	3	↓ MOL2 SDF SMILES Flexibase

54453632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6,7,8,9-tetrahydrodibenzofuran-2-ol 1-(1,4-dioxa-8-azaspiro[4.5]deca…

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)	3.41	7.26	-36.65	2	5	1	56	344.431	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.41	5	-8.54	1	5	0	55	343.423	2	↓ MOL2 SDF SMILES Flexibase

13404159

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(6,7,8,9-tetrahydro…

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)	4.25	10.91	-66.21	1	6	-1	92	390.415	6	↓ MOL2 SDF SMILES Flexibase

13406820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]thiazol-4-yl]acetic 2-[2-[[2-(6,7,8,9-tetrahydrodibe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	8.86	-60.1	1	7	-1	104	385.421	6	↓ MOL2 SDF SMILES Flexibase

13412067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,4Z,6E)-7-[(4S)-8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-4-yl]-4-methoxy-6-methyl-hepta-2,4,6-tri (2E,4Z,6E)-7-[(4S)-8-hydroxy-1,2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	8.42	-55.74	1	5	-1	83	353.394	5	↓ MOL2 SDF SMILES Flexibase

13412070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,4Z,6E)-7-[(4R)-8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-4-yl]-4-methoxy-6-methyl-hepta-2,4,6-tri (2E,4Z,6E)-7-[(4R)-8-hydroxy-1,2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	8.4	-54.72	1	5	-1	83	353.394	5	↓ MOL2 SDF SMILES Flexibase

13425964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic 4-chloro-3-[[2-(6,7,8,9-tetrahyd…

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)	4.79	10.3	-65.01	1	6	-1	92	398.822	5	↓ MOL2 SDF SMILES Flexibase

13426193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]cyclohexane-1-carboxylic 1-[[2-(6,7,8,9-tetrahydrodibenzo…

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)	1.82	10.29	-66.75	1	6	-1	92	370.425	5	↓ MOL2 SDF SMILES Flexibase

13426295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzene-1,3-dicarboxylic 5-[[2-(6,7,8,9-tetrahydrodibenzo…

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)	4.02	9.28	-128.89	1	8	-2	132	407.378	6	↓ MOL2 SDF SMILES Flexibase

13426779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-cyanoethyl-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]-3-phenyl-propanoic (2S)-2-[2-cyanoethyl-[2-(6,7,8,9…

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	14.35	-62.92	0	7	-1	107	445.495	9	↓ MOL2 SDF SMILES Flexibase

13427086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-methoxyphenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-(4-methoxyphenyl)-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)	2.83	10.66	-57.09	1	7	-1	101	422.457	8	↓ MOL2 SDF SMILES Flexibase

13427087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-methoxyphenyl)-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-(4-methoxyphenyl)-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)	2.83	10.58	-57.5	1	7	-1	101	422.457	8	↓ MOL2 SDF SMILES Flexibase

13427689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-phenyl-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3R)-3-phenyl-3-[[2-(6,7,8,9-tet…

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)	2.77	10.6	-63.52	1	6	-1	92	392.431	7	↓ MOL2 SDF SMILES Flexibase

13427690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]propanoic (3S)-3-phenyl-3-[[2-(6,7,8,9-tet…

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)	2.77	11.29	-57.18	1	6	-1	92	392.431	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 2337
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 = 2337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2337&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": "2337"        

    });
</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