ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

14550041

Analogs

14550042
14550043
14550044

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.83	12.32	-14	1	3	0	32	412.508	4	↓ MOL2 SDF SMILES Flexibase

14550042

Analogs

14550043
14550044
14550041

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.83	12.91	-14.1	1	3	0	32	412.508	4	↓ MOL2 SDF SMILES Flexibase

14550043

Analogs

14550044
14550041
14550042

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.83	13.59	-11.99	1	3	0	32	412.508	4	↓ MOL2 SDF SMILES Flexibase

14550044

Analogs

14550041
14550042
14550043

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.83	13.03	-13.99	1	3	0	32	412.508	4	↓ MOL2 SDF SMILES Flexibase

14550049

Analogs

14550050
14550051
14550052

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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	11.67	-13.91	1	3	0	32	398.481	3	↓ MOL2 SDF SMILES Flexibase

14550050

Analogs

14550051
14550052
14550049

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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	12.23	-14.16	1	3	0	32	398.481	3	↓ MOL2 SDF SMILES Flexibase

14550051

Analogs

14550052
14550049
14550050

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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	12.9	-12.44	1	3	0	32	398.481	3	↓ MOL2 SDF SMILES Flexibase

14550052

Analogs

14550049
14550050
14550051

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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	12.7	-11.76	1	3	0	32	398.481	3	↓ MOL2 SDF SMILES Flexibase

14550637

Analogs

14550638
14550639
14550640

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.70	11.59	-11.46	1	4	0	42	424.544	5	↓ MOL2 SDF SMILES Flexibase

14550638

Analogs

14550639
14550640
14550637

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.70	12.06	-15.4	1	4	0	42	424.544	5	↓ MOL2 SDF SMILES Flexibase

14550639

Analogs

14550640
14550637
14550638

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.70	12.89	-12.12	1	4	0	42	424.544	5	↓ MOL2 SDF SMILES Flexibase

14550640

Analogs

14550637
14550638
14550639

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.70	12.66	-11.78	1	4	0	42	424.544	5	↓ MOL2 SDF SMILES Flexibase

14550645

Analogs

14550646
14550647
14550648

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.33	10.91	-12.47	1	4	0	42	410.517	4	↓ MOL2 SDF SMILES Flexibase

14550646

Analogs

14550647
14550648
14550645

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.33	11.49	-14.78	1	4	0	42	410.517	4	↓ MOL2 SDF SMILES Flexibase

14550647

Analogs

14550648
14550645
14550646

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.33	12.15	-12.36	1	4	0	42	410.517	4	↓ MOL2 SDF SMILES Flexibase

14550648

Analogs

14550645
14550646
14550647

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.33	11.55	-13.34	1	4	0	42	410.517	4	↓ MOL2 SDF SMILES Flexibase

14551121

Analogs

14551122
14551123
14551124

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.63	12.98	-17.91	1	6	0	78	439.515	5	↓ MOL2 SDF SMILES Flexibase

14551122

Analogs

14551123
14551124
14551121

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.63	13.58	-17.49	1	6	0	78	439.515	5	↓ MOL2 SDF SMILES Flexibase

14551123

Analogs

14551124
14551121
14551122

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.63	14.16	-16.45	1	6	0	78	439.515	5	↓ MOL2 SDF SMILES Flexibase

14551124

Analogs

14551121
14551122
14551123

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.63	13.7	-18.28	1	6	0	78	439.515	5	↓ MOL2 SDF SMILES Flexibase

14551129

Analogs

14551130
14551131
14551132

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.25	12.28	-18.35	1	6	0	78	425.488	4	↓ MOL2 SDF SMILES Flexibase

14551130

Analogs

14551131
14551132
14551129

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.25	12.9	-18.78	1	6	0	78	425.488	4	↓ MOL2 SDF SMILES Flexibase

14551131

Analogs

14551132
14551129
14551130

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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)	5.25	13.5	-16.7	1	6	0	78	425.488	4	↓ MOL2 SDF SMILES Flexibase

14551132

Analogs

14551129
14551130
14551131

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.25	13.31	-15.67	1	6	0	78	425.488	4	↓ MOL2 SDF SMILES Flexibase

14551663

Analogs

13645190
13645194
13645197
13645200
14462377

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.67	12.22	-12.2	1	3	0	32	394.518	4	↓ MOL2 SDF SMILES Flexibase

14551664

Analogs

13645190
13645194
13645197
13645200
14462377

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.67	12.74	-12.08	1	3	0	32	394.518	4	↓ MOL2 SDF SMILES Flexibase

14551665

Analogs

13645190
13645194
13645197
13645200
14462377

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.67	13.58	-10.93	1	3	0	32	394.518	4	↓ MOL2 SDF SMILES Flexibase

14551666

Analogs

13645190
13645194
13645197
13645200
14462377

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.67	12.97	-12.21	1	3	0	32	394.518	4	↓ MOL2 SDF SMILES Flexibase

14551671

Analogs

14551672
14551673
14551674
13645217
13645220

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.29	11.52	-11.79	1	3	0	32	380.491	3	↓ MOL2 SDF SMILES Flexibase

14551672

Analogs

14551673
14551674
14551671
13645217
13645220

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.29	12.07	-13.06	1	3	0	32	380.491	3	↓ MOL2 SDF SMILES Flexibase

14551673

Analogs

14551674
14551671
14551672
13645217
13645220

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.29	12.82	-10.89	1	3	0	32	380.491	3	↓ MOL2 SDF SMILES Flexibase

14551674

Analogs

14551671
14551672
14551673
13645217
13645220

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N,4-diphenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	5.29	12.29	-11.92	1	3	0	32	380.491	3	↓ MOL2 SDF SMILES Flexibase

14552317

Analogs

14552318
14552319
14552320

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Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	6.10	13.28	-12.76	1	3	0	32	440.612	5	↓ MOL2 SDF SMILES Flexibase

14552318

Analogs

14552319
14552320
14552317

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	6.10	13.98	-16.09	1	3	0	32	440.612	5	↓ MOL2 SDF SMILES Flexibase

14552319

Analogs

14552320
14552317
14552318

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	6.10	14.57	-11.89	1	3	0	32	440.612	5	↓ MOL2 SDF SMILES Flexibase

14552320

Analogs

14552317
14552318
14552319

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-phenyl- 3H-cyclopenta[c]quinoline-8-carb…

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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)	6.10	14.37	-11.34	1	3	0	32	440.612	5	↓ MOL2 SDF SMILES Flexibase

14552325

Analogs

14552326
14552327
14552328

Draw Identity 99% 90% 80% 70%

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

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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)	5.73	12.63	-13.65	1	3	0	32	426.585	4	↓ MOL2 SDF SMILES Flexibase

14552326

Analogs

14552327
14552328
14552325

Draw Identity 99% 90% 80% 70%

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

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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)	5.73	13.18	-13.95	1	3	0	32	426.585	4	↓ MOL2 SDF SMILES Flexibase

14552327

Analogs

14552328
14552325
14552326

Draw Identity 99% 90% 80% 70%

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

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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)	5.73	13.86	-12.23	1	3	0	32	426.585	4	↓ MOL2 SDF SMILES Flexibase

14552328

Analogs

14552325
14552326
14552327

Draw Identity 99% 90% 80% 70%

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

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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)	5.73	13.65	-11.78	1	3	0	32	426.585	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 243985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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": "243985"        

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