ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14549857

Analogs

14549858
14549859
14549860

Draw Identity 99% 90% 80% 70%

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

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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)	4.75	9.29	-9.42	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14549858

Analogs

14549859
14549860
14549857

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 4-(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)	4.75	10.17	-7.18	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14549859

Analogs

14549860
14549857
14549858

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 4-(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)	4.75	10.34	-7.66	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14549860

Analogs

14549857
14549858
14549859

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 4-(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)	4.75	9.88	-9.66	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14550449

Analogs

14550450
14550451
14550452

Draw Identity 99% 90% 80% 70%

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

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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)	4.62	8.34	-7.87	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550450

Analogs

14550451
14550452
14550449

Draw Identity 99% 90% 80% 70%

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

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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)	4.62	9.16	-8.6	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550451

Analogs

14550452
14550449
14550450

Draw Identity 99% 90% 80% 70%

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

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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)	4.62	9.73	-8.17	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550452

Analogs

14550449
14550450
14550451

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	4.62	9.1	-11.41	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550953

Analogs

14550954
14550955
14550956

Draw Identity 99% 90% 80% 70%

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

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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)	4.55	9.9	-13.56	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14550954

Analogs

14550955
14550956
14550953

Draw Identity 99% 90% 80% 70%

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

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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)	4.55	10.43	-13.31	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14550955

Analogs

14550956
14550953
14550954

Draw Identity 99% 90% 80% 70%

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

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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)	4.55	10.94	-11.43	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14550956

Analogs

14550953
14550954
14550955

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	4.55	10.47	-13.77	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14551487

Analogs

14551488
14551489
14551490
14458618
14458619

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	4.59	9.04	-7.6	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14551488

Analogs

14458618
14458619
14458620
14458621

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	4.59	9.94	-8.07	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14551489

Analogs

14458618
14458619
14458620
14458621

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	4.59	10.47	-7.16	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14551490

Analogs

14458618
14458619
14458620
14458621

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	4.59	9.62	-8.2	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14552129

Analogs

14552130
14552131
14552132

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	5.02	10.24	-9.78	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

14552130

Analogs

14552131
14552132
14552129

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	5.02	11.13	-7.36	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

14552131

Analogs

14552132
14552129
14552130

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	5.02	11.3	-7.69	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

14552132

Analogs

14552129
14552130
14552131

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-8-[(tetrahydro-2-furanyl)methoxy]- 3H-cyclopenta[c]quinoline, 3a,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)	5.02	10.83	-9.17	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243837
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 = 243837 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243837&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": "243837"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

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