ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6728439

Analogs

4123721

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-methyl-BLAHcarboxylic (3-methoxyphenyl)-methyl-BLAHcar…

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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)	3.20	-0.58	-60.71	1	4	-1	61	334.395	3	↓ MOL2 SDF SMILES Flexibase

20130652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-amine (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-…

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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)	3.23	7.39	-4.86	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

20130654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-amine (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-…

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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)	3.23	6.93	-5.92	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

20130656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinolin-8-amine (3ar,4s,9bs)-4-phenyl-3a,4,5,9b-…

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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)	3.23	7.6	-4.86	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

20130740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bS)-4-(2,6-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (3aR,4S,9bS)-4-(2,6-dichlorophen…

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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	7.87	-60.07	1	3	-1	52	359.232	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.33	6.76	-11.26	2	3	0	49	360.24	2	↓ MOL2 SDF SMILES Flexibase

20241197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3aR,4R,9bS)-4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidenea N-[1-[(3aR,4R,9bS)-4-(2-chloroph…

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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)	3.61	10.95	-23.73	2	5	0	77	404.901	4	↓ MOL2 SDF SMILES Flexibase

20241201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(3aS,4R,9bS)-4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylidenea N-[1-[(3aS,4R,9bS)-4-(2-chloroph…

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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)	3.61	9.82	-23.42	2	5	0	77	404.901	4	↓ MOL2 SDF SMILES Flexibase

12404727

Analogs

16424952
16424954
20059009
36081457
36081458

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,9bS)-4-(4-carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (3aR,9bS)-4-(4-carboxyphenyl)-3a…

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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)	3.98	-0.82	-103.63	1	5	-2	92	333.343	3	↓ MOL2 SDF SMILES Flexibase

12404728

Analogs

16424952
16424954
20059009
36081457
36081458

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,9bS)-4-(4-carboxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid (3aR,9bS)-4-(4-carboxyphenyl)-3a…

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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)	3.98	-1.21	-124.44	1	5	-2	92	333.343	3	↓ MOL2 SDF SMILES Flexibase

13403556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,9bR)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-3-acetoxy-phenyl] [4-[(3aR,4S,9bR)-8-nitro-3a,4,5,…

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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)	3.15	12.22	-16.94	1	8	0	110	408.41	6	↓ MOL2 SDF SMILES Flexibase

13403565

Analogs

662162
5726375

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.74	13.67	-15.46	1	7	0	91	435.476	8	↓ MOL2 SDF SMILES Flexibase

13403570

Analogs

378207

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,9bR)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] [4-[(3aR,4S,9bR)-8-acetyl-3a,4,5…

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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)	3.61	10.87	-15.55	1	4	0	55	347.414	4	↓ MOL2 SDF SMILES Flexibase

13403575

Analogs

378207

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(3aR,4S,9bS)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]phenyl] [4-[(3aR,4S,9bS)-8-acetyl-3a,4,5…

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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)	3.61	10.73	-14.94	1	4	0	55	347.414	4	↓ MOL2 SDF SMILES Flexibase

13403581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3aR,4S,9bR)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-5-acetoxy-phenyl] [2-[(3aR,4S,9bR)-8-methyl-3a,4,5…

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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)	3.64	12.18	-12.14	1	5	0	65	377.44	5	↓ MOL2 SDF SMILES Flexibase

13403585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3aR,4S,9bS)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-5-acetoxy-phenyl] [2-[(3aR,4S,9bS)-8-methyl-3a,4,5…

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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)	3.64	11.58	-11.82	1	5	0	65	377.44	5	↓ MOL2 SDF SMILES Flexibase

13425205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,9bR)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin (3aR,4R,9bR)-4-(3-bromo-4,5-dime…

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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)	4.23	10.31	-6.09	1	3	0	30	400.316	3	↓ MOL2 SDF SMILES Flexibase

13425206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin (3aR,4S,9bR)-4-(3-bromo-4,5-dime…

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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)	4.23	9.72	-6.41	1	3	0	30	400.316	3	↓ MOL2 SDF SMILES Flexibase

13425509

Analogs

4123721

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,9bR)-4-(3-methoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxyli (3aR,4R,9bR)-4-(3-methoxyphenyl)…

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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)	3.20	9.39	-52.63	1	4	-1	61	334.395	3	↓ MOL2 SDF SMILES Flexibase

13425510

Analogs

4123721

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,9bR)-4-(3-methoxyphenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxyli (3aR,4S,9bR)-4-(3-methoxyphenyl)…

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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)	3.20	8.49	-59.74	1	4	-1	61	334.395	3	↓ MOL2 SDF SMILES Flexibase

13425556

Analogs

14551267
14551268
14551269
14551270
4004666

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aR,4S,9bS)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]aniline 4-[(3aR,4S,9bS)-8-methyl-3a,4,5,…

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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)	3.68	7.1	-4.1	3	2	0	38	276.383	1	↓ MOL2 SDF SMILES Flexibase

13425557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,4S,9bS)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]aniline 4-[(3aS,4S,9bS)-8-methyl-3a,4,5,…

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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)	3.68	8.32	-3.89	3	2	0	38	276.383	1	↓ MOL2 SDF SMILES Flexibase

13425558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD01208397 MFCD01208397

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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)	3.26	7	-4.59	3	2	0	38	262.356	1	↓ MOL2 SDF SMILES Flexibase

14549545

Analogs

14549546
14549547
14549548

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(4-fluorophenyl)-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)	3.84	5.75	-6.65	2	2	0	32	281.33	1	↓ MOL2 SDF SMILES Flexibase

14549546

Analogs

14549547
14549548
14549545

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(4-fluorophenyl)-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)	3.84	6.52	-6.74	2	2	0	32	281.33	1	↓ MOL2 SDF SMILES Flexibase

14549547

Analogs

14549548
14549545
14549546

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(4-fluorophenyl)-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)	3.84	7	-5.63	2	2	0	32	281.33	1	↓ MOL2 SDF SMILES Flexibase

14549548

Analogs

14549545
14549546
14549547

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-ol, 4-(4-fluorophenyl)-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)	3.84	6.31	-6.84	2	2	0	32	281.33	1	↓ MOL2 SDF SMILES Flexibase

14549558

Analogs

14549559
14549560
14549561

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, N,N-diethyl-4-(4-fluorophenyl)-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)	5.18	10.91	-4.96	1	2	0	15	336.454	4	↓ MOL2 SDF SMILES Flexibase

14549559

Analogs

14549560
14549561
14549558

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, N,N-diethyl-4-(4-fluorophenyl)-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)	5.18	11.48	-5.18	1	2	0	15	336.454	4	↓ MOL2 SDF SMILES Flexibase

14549560

Analogs

14549561
14549558
14549559

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, N,N-diethyl-4-(4-fluorophenyl)-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)	5.18	12.16	-4.2	1	2	0	15	336.454	4	↓ MOL2 SDF SMILES Flexibase

14549561

Analogs

14549558
14549559
14549560

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-8-amine, N,N-diethyl-4-(4-fluorophenyl)-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)	5.18	11.98	-3.75	1	2	0	15	336.454	4	↓ MOL2 SDF SMILES Flexibase

14549562

Analogs

14549563
14549564
14549565

Draw Identity 99% 90% 80% 70%

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

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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)	3.79	8.87	-11.28	1	3	0	32	336.41	2	↓ MOL2 SDF SMILES Flexibase

14549563

Analogs

14549564
14549565
14549562

Draw Identity 99% 90% 80% 70%

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

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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)	3.79	9.82	-13.07	1	3	0	32	336.41	2	↓ MOL2 SDF SMILES Flexibase

14549564

Analogs

14549565
14549562
14549563

Draw Identity 99% 90% 80% 70%

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

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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)	3.79	10.04	-10.74	1	3	0	32	336.41	2	↓ MOL2 SDF SMILES Flexibase

14549565

Analogs

14549562
14549563
14549564

Draw Identity 99% 90% 80% 70%

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

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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)	3.79	9.58	-11.4	1	3	0	32	336.41	2	↓ MOL2 SDF SMILES Flexibase

14549574

Analogs

14549575
14549576
14549577

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-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)	3.14	5.4	-13.04	3	3	0	55	308.356	2	↓ MOL2 SDF SMILES Flexibase

14549575

Analogs

14549576
14549577
14549574

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-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)	3.14	6.46	-10.5	3	3	0	55	308.356	2	↓ MOL2 SDF SMILES Flexibase

14549576

Analogs

14549577
14549574
14549575

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-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)	3.14	6.65	-11.3	3	3	0	55	308.356	2	↓ MOL2 SDF SMILES Flexibase

14549577

Analogs

14549574
14549575
14549576

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-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)	3.14	5.99	-13.24	3	3	0	55	308.356	2	↓ MOL2 SDF SMILES Flexibase

14549578

Analogs

14549579
14549580
14549581

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carbonitrile, 4-(4-fluorophenyl)-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)	4.08	9	-8.76	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549579

Analogs

14549580
14549581
14549578

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carbonitrile, 4-(4-fluorophenyl)-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)	4.08	9.79	-8.74	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549580

Analogs

14549581
14549578
14549579

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carbonitrile, 4-(4-fluorophenyl)-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)	4.08	10.26	-7.32	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549581

Analogs

14549578
14549579
14549580

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carbonitrile, 4-(4-fluorophenyl)-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)	4.08	9.59	-8.68	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549582

Analogs

14549583
14549584
14549585

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-methoxy- 3H-cyclopenta[c]quinoline, 4-(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)	4.38	7.9	-6.55	1	2	0	21	295.357	2	↓ MOL2 SDF SMILES Flexibase

14549583

Analogs

14549584
14549585
14549582

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-methoxy- 3H-cyclopenta[c]quinoline, 4-(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)	4.38	8.48	-6.87	1	2	0	21	295.357	2	↓ MOL2 SDF SMILES Flexibase

14549584

Analogs

14549585
14549582
14549583

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-methoxy- 3H-cyclopenta[c]quinoline, 4-(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)	4.38	9.15	-5.58	1	2	0	21	295.357	2	↓ MOL2 SDF SMILES Flexibase

14549585

Analogs

14549582
14549583
14549584

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-8-methoxy- 3H-cyclopenta[c]quinoline, 4-(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)	4.38	8.97	-5.03	1	2	0	21	295.357	2	↓ MOL2 SDF SMILES Flexibase

14549586

Analogs

14549587
14549588
14549589

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carbonitrile, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-6-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)	3.12	8.58	-6.54	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549587

Analogs

14549588
14549589
14549586

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carbonitrile, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-6-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)	3.12	9.41	-7.25	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549588

Analogs

14549589
14549586
14549587

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carbonitrile, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-6-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)	3.12	10.19	-6.97	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

14549589

Analogs

14549586
14549587
14549588

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carbonitrile, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-6-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)	3.12	9.74	-6.68	1	2	0	36	290.341	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 3673 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">
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