ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

14549025

Analogs

14549026
14549027
14549028
14463604
14463606

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- acetamide, N-[4-(9-anthracenyl)-…

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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	9.3	-13.87	2	3	0	41	404.513	2	↓ MOL2 SDF SMILES Flexibase

14549026

Analogs

14549027
14549028
14549025
14463604
14463606

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- acetamide, N-[4-(9-anthracenyl)-…

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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	11.89	-16.89	2	3	0	41	404.513	2	↓ MOL2 SDF SMILES Flexibase

14549027

Analogs

14549028
14463604
14463606
14463608
14463610

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- acetamide, N-[4-(9-anthracenyl)-…

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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	13.16	-11.29	2	3	0	41	404.513	2	↓ MOL2 SDF SMILES Flexibase

14549028

Analogs

14463604
14463606
14463608
14463610
14549025

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- acetamide, N-[4-(9-anthracenyl)-…

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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	13.08	-11.08	2	3	0	41	404.513	2	↓ MOL2 SDF SMILES Flexibase

14549036

Analogs

14549037
14549038
14549039

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-ol, 4…

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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)	5.97	7.76	-9.25	2	2	0	32	363.46	1	↓ MOL2 SDF SMILES Flexibase

14549037

Analogs

14549038
14549039
14549036

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-ol, 4…

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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)	5.97	10.89	-9.72	2	2	0	32	363.46	1	↓ MOL2 SDF SMILES Flexibase

14549038

Analogs

14549039
14549036
14549037

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-ol, 4…

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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)	5.97	11.44	-6.34	2	2	0	32	363.46	1	↓ MOL2 SDF SMILES Flexibase

14549039

Analogs

14549036
14549037
14549038

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-ol, 4…

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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)	5.97	10.18	-9.33	2	2	0	32	363.46	1	↓ MOL2 SDF SMILES Flexibase

14549040

Analogs

14549041
14549042

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-6,8-dichloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.74	15.22	-4.01	1	1	0	12	416.351	1	↓ MOL2 SDF SMILES Flexibase

14549041

Analogs

14549042
14549040

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-6,8-dichloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.74	15.52	-4.46	1	1	0	12	416.351	1	↓ MOL2 SDF SMILES Flexibase

14549042

Analogs

14549040
14549041

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-6,8-dichloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.74	13.84	-7.36	1	1	0	12	416.351	1	↓ MOL2 SDF SMILES Flexibase

14549047

Analogs

14549048
14549049
14549050

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.48	10.55	-8.2	1	1	0	12	347.461	1	↓ MOL2 SDF SMILES Flexibase

14549048

Analogs

14549049
14549050
14549047

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.48	13.77	-7.96	1	1	0	12	347.461	1	↓ MOL2 SDF SMILES Flexibase

14549049

Analogs

14549050
14549047
14549048

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.48	14.31	-4.88	1	1	0	12	347.461	1	↓ MOL2 SDF SMILES Flexibase

14549050

Analogs

14549047
14549048
14549049

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.48	12.99	-7.78	1	1	0	12	347.461	1	↓ MOL2 SDF SMILES Flexibase

14549051

Analogs

14549052
14549053

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-6-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.11	12.84	-6.02	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549052

Analogs

14549053
14549051

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-6-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.11	14.41	-6.3	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549053

Analogs

14549051
14549052

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-6-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.11	12.71	-6.28	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549054

Analogs

14549055
14549056
14549057

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.13	11.07	-8.33	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549055

Analogs

14549056
14549057
14549054

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.13	14.69	-4.25	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549056

Analogs

14549057
14549054
14549055

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.13	14.8	-4.58	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549057

Analogs

14549054
14549055
14549056

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-chloro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.13	13.52	-8.15	1	1	0	12	381.906	1	↓ MOL2 SDF SMILES Flexibase

14549058

Analogs

14549059
14549060
14549061

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, 4-(9-anthracenyl)-N,N-diethyl-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-amine…

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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)	7.31	12.75	-8.16	1	2	0	15	418.584	4	↓ MOL2 SDF SMILES Flexibase

14549059

Analogs

14549060
14549061
14549058

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, 4-(9-anthracenyl)-N,N-diethyl-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-amine…

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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)	7.31	15.28	-8.01	1	2	0	15	418.584	4	↓ MOL2 SDF SMILES Flexibase

14549060

Analogs

14549061
14549058
14549059

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, 4-(9-anthracenyl)-N,N-diethyl-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-amine…

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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)	7.31	16.57	-5.22	1	2	0	15	418.584	4	↓ MOL2 SDF SMILES Flexibase

14549061

Analogs

14549058
14549059
14549060

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, 4-(9-anthracenyl)-N,N-diethyl-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinolin-8-amine…

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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)	7.31	16.05	-8.32	1	2	0	15	418.584	4	↓ MOL2 SDF SMILES Flexibase

14549062

Analogs

14549063
14549064
14549170
14549171
14549172

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-6,8-dimethyl- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.34	14.2	-8.73	1	1	0	12	375.515	1	↓ MOL2 SDF SMILES Flexibase

14549063

Analogs

14549064
14549170
14549171
14549172
14549173

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-6,8-dimethyl- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.34	15.88	-4.86	1	1	0	12	375.515	1	↓ MOL2 SDF SMILES Flexibase

14549064

Analogs

14549170
14549171
14549172
14549173
14549062

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-6,8-dimethyl- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.34	13.57	-7.31	1	1	0	12	375.515	1	↓ MOL2 SDF SMILES Flexibase

14549065

Analogs

14549066
14549067
14549068

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-ethoxy-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.89	10.85	-9.39	1	2	0	21	391.514	3	↓ MOL2 SDF SMILES Flexibase

14549066

Analogs

14549067
14549068
14549065

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-ethoxy-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.89	13.2	-9.59	1	2	0	21	391.514	3	↓ MOL2 SDF SMILES Flexibase

14549067

Analogs

14549068
14549065
14549066

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-ethoxy-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.89	14.49	-5.93	1	2	0	21	391.514	3	↓ MOL2 SDF SMILES Flexibase

14549068

Analogs

14549065
14549066
14549067

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-ethoxy-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.89	13.96	-10.11	1	2	0	21	391.514	3	↓ MOL2 SDF SMILES Flexibase

14549069

Analogs

14549070
14549071
14549072

Draw Identity 99% 90% 80% 70%

Popular Name: ethanone, 1-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- ethanone, 1-[4-(9-anthracenyl)-3…

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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)	6.35	10.99	-14.14	1	2	0	29	389.498	2	↓ MOL2 SDF SMILES Flexibase

14549070

Analogs

14549071
14549072
14549069

Draw Identity 99% 90% 80% 70%

Popular Name: ethanone, 1-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- ethanone, 1-[4-(9-anthracenyl)-3…

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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)	6.35	13.45	-14.64	1	2	0	29	389.498	2	↓ MOL2 SDF SMILES Flexibase

14549071

Analogs

14549072
14549069
14549070

Draw Identity 99% 90% 80% 70%

Popular Name: ethanone, 1-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- ethanone, 1-[4-(9-anthracenyl)-3…

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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)	6.35	14.66	-9.41	1	2	0	29	389.498	2	↓ MOL2 SDF SMILES Flexibase

14549072

Analogs

14549069
14549070
14549071

Draw Identity 99% 90% 80% 70%

Popular Name: ethanone, 1-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- ethanone, 1-[4-(9-anthracenyl)-3…

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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)	6.35	14.14	-15.04	1	2	0	29	389.498	2	↓ MOL2 SDF SMILES Flexibase

14549073

Analogs

14549074
14549075
14549076

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-bromo-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.26	11.16	-8.39	1	1	0	12	426.357	1	↓ MOL2 SDF SMILES Flexibase

14549074

Analogs

14549075
14549076
14549073

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-bromo-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.26	14.81	-4.19	1	1	0	12	426.357	1	↓ MOL2 SDF SMILES Flexibase

14549075

Analogs

14549076
14549073
14549074

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-bromo-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.26	14.91	-4.62	1	1	0	12	426.357	1	↓ MOL2 SDF SMILES Flexibase

14549076

Analogs

14549073
14549074
14549075

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-bromo-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	7.26	13.63	-8.08	1	1	0	12	426.357	1	↓ MOL2 SDF SMILES Flexibase

14549077

Analogs

14549078
14549079
14549080
14463714
14463716

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-N-methyl- acetamide, N-[4-(9-anthracenyl)-…

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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)	5.92	10.95	-14.04	1	3	0	32	418.54	2	↓ MOL2 SDF SMILES Flexibase

14549078

Analogs

14549079
14549080
14463714
14463716
14463718

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-N-methyl- acetamide, N-[4-(9-anthracenyl)-…

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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)	5.92	13.73	-15.6	1	3	0	32	418.54	2	↓ MOL2 SDF SMILES Flexibase

14549079

Analogs

14549080
14463714
14463716
14463718
14463720

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-N-methyl- acetamide, N-[4-(9-anthracenyl)-…

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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)	5.92	14.48	-11.65	1	3	0	32	418.54	2	↓ MOL2 SDF SMILES Flexibase

14549080

Analogs

14549077
14549078
14549079
14463714
14463716

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-N-methyl- acetamide, N-[4-(9-anthracenyl)-…

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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)	5.92	14.02	-13.41	1	3	0	32	418.54	2	↓ MOL2 SDF SMILES Flexibase

14549081

Analogs

14549082
14549083
14549084

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-fluoro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.62	10.62	-9.14	1	1	0	12	365.451	1	↓ MOL2 SDF SMILES Flexibase

14549082

Analogs

14549083
14549084
14549081

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-fluoro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.62	14.25	-4.91	1	1	0	12	365.451	1	↓ MOL2 SDF SMILES Flexibase

14549083

Analogs

14549084
14549081
14549082

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-fluoro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.62	14.34	-5.29	1	1	0	12	365.451	1	↓ MOL2 SDF SMILES Flexibase

14549084

Analogs

14549081
14549082
14549083

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(9-anthracenyl)-8-fluoro-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline, 4-(9-…

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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)	6.62	13.07	-8.98	1	1	0	12	365.451	1	↓ MOL2 SDF SMILES Flexibase

14549093

Analogs

14549094
14549095
14549096

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(9-anthracenyl)-3a,4,5,9b-tetrahydro- 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)	5.27	7.28	-16.08	3	3	0	55	390.486	2	↓ MOL2 SDF SMILES Flexibase

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