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

14549957

Analogs

14549958
14549959
14549960

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.76	5.89	-12.08	2	5	0	67	428.529	5	↓ MOL2 SDF SMILES Flexibase

14549958

Analogs

14549959
14549960
14549957

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.76	6.57	-12.78	2	5	0	67	428.529	5	↓ MOL2 SDF SMILES Flexibase

14549959

Analogs

14549960
14549957
14549958

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.76	7.09	-11.17	2	5	0	67	428.529	5	↓ MOL2 SDF SMILES Flexibase

14549960

Analogs

14549957
14549958
14549959

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.76	6.43	-13.21	2	5	0	67	428.529	5	↓ MOL2 SDF SMILES Flexibase

14550553

Analogs

14550554
14550555
14550556
20755906

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	5.12	-12.8	2	6	0	77	440.565	6	↓ MOL2 SDF SMILES Flexibase

14550554

Analogs

14550555
14550556
20755906
14550553

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	6.13	-11.42	2	6	0	77	440.565	6	↓ MOL2 SDF SMILES Flexibase

14550555

Analogs

14550556
20755906
14550553
14550554

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	6.35	-11.47	2	6	0	77	440.565	6	↓ MOL2 SDF SMILES Flexibase

14550556

Analogs

20755906
14550553
14550554
14550555

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	5.66	-12.38	2	6	0	77	440.565	6	↓ MOL2 SDF SMILES Flexibase

14551053

Analogs

14551054
14551055
14551056

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.56	6.45	-16.23	2	8	0	113	455.536	6	↓ MOL2 SDF SMILES Flexibase

14551054

Analogs

14551055
14551056
14551053

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.56	7.51	-14.79	2	8	0	113	455.536	6	↓ MOL2 SDF SMILES Flexibase

14551055

Analogs

14551056
14551053
14551054

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.56	7.72	-15.96	2	8	0	113	455.536	6	↓ MOL2 SDF SMILES Flexibase

14551056

Analogs

14551053
14551054
14551055

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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)	3.56	7.04	-17.56	2	8	0	113	455.536	6	↓ MOL2 SDF SMILES Flexibase

14551587

Analogs

14458722

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	5.78	-11.58	2	5	0	67	410.539	5	↓ MOL2 SDF SMILES Flexibase

14551588

Analogs

14458722

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	6.53	-11.33	2	5	0	67	410.539	5	↓ MOL2 SDF SMILES Flexibase

14551589

Analogs

14458722

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	7.02	-10.43	2	5	0	67	410.539	5	↓ MOL2 SDF SMILES Flexibase

14551590

Analogs

14458722

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	6.4	-11.47	2	5	0	67	410.539	5	↓ MOL2 SDF SMILES Flexibase

14552233

Analogs

14552234
14552235
14552236

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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	6.85	-14.17	2	5	0	67	456.633	6	↓ MOL2 SDF SMILES Flexibase

14552234

Analogs

14552235
14552236
14552233

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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	7.87	-11	2	5	0	67	456.633	6	↓ MOL2 SDF SMILES Flexibase

14552235

Analogs

14552236
14552233
14552234

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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	8.03	-11.04	2	5	0	67	456.633	6	↓ MOL2 SDF SMILES Flexibase

14552236

Analogs

14552233
14552234
14552235

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-sulf…

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	7.38	-12.61	2	5	0	67	456.633	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243901
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 = 243901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243901&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": "243901"        

    });
</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

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results