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

14549961

Analogs

14549962
14549963
14549964

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-6-[(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)	4.73	10.38	-7.18	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14549962

Analogs

14549963
14549964
14549961

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-6-[(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)	4.73	10.49	-6.75	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14549963

Analogs

14549964
14549961
14549962

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-6-[(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)	4.73	9.53	-7.16	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14549964

Analogs

14549961
14549962
14549963

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-6-[(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)	4.73	9.66	-8.13	1	3	0	30	365.448	4	↓ MOL2 SDF SMILES Flexibase

14550557

Analogs

14550558
14550559
14550560

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-6-[(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)	4.60	9.85	-7.43	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550558

Analogs

14550559
14550560
14550557

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-6-[(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)	4.60	9.39	-9.33	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550559

Analogs

14550560
14550557
14550558

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-6-[(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)	4.60	9.77	-7.8	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14550560

Analogs

14550557
14550558
14550559

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-6-[(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)	4.60	8.88	-9.41	1	4	0	40	377.484	5	↓ MOL2 SDF SMILES Flexibase

14551057

Analogs

14551058
14551059
14551060

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-6-[(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)	4.52	10.97	-10.09	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14551058

Analogs

14551059
14551060
14551057

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-6-[(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)	4.52	11.09	-9.59	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14551059

Analogs

14551060
14551057
14551058

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-6-[(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)	4.52	10.13	-10.22	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14551060

Analogs

14551057
14551058
14551059

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-6-[(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)	4.52	10.23	-11.29	1	6	0	76	392.455	5	↓ MOL2 SDF SMILES Flexibase

14551591

Analogs

14458726
14458727
14458728
14458729
14463394

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-6-[(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)	4.56	8.79	-6.12	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14551592

Analogs

14458726
14458727
14458728
14458729
14463394

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-6-[(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)	4.56	10.09	-6.16	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14551593

Analogs

14458726
14458727
14458728
14458729
14463394

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-6-[(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)	4.56	10.32	-6.95	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14551594

Analogs

14458726
14458727
14458728
14458729
14463394

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-phenyl-6-[(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)	4.56	9.54	-6.95	1	3	0	30	347.458	4	↓ MOL2 SDF SMILES Flexibase

14552237

Analogs

14552238
14552239
14552240

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-6-[(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)	5.00	11.45	-7.13	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

14552238

Analogs

14552239
14552240
14552237

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-6-[(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)	5.00	11.1	-6.58	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

14552239

Analogs

14552240
14552237
14552238

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-6-[(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)	5.00	11.18	-7.35	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

14552240

Analogs

14552237
14552238
14552239

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-6-[(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)	5.00	10.48	-7.25	1	3	0	30	393.552	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243905
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 = 243905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243905&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": "243905"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results