ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14549651

Analogs

14549652
14549653
14549654
14549655
14549656

Draw Identity 99% 90% 80% 70%

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

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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)	4.54	8.61	-10.67	1	4	0	49	412.53	3	↓ MOL2 SDF SMILES Flexibase

14549652

Analogs

14549653
14549654
14549655
14549656
14549657

Draw Identity 99% 90% 80% 70%

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

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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)	4.54	9.32	-11.06	1	4	0	49	412.53	3	↓ MOL2 SDF SMILES Flexibase

14549653

Analogs

14549654
14549655
14549656
14549657
14549658

Draw Identity 99% 90% 80% 70%

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

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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)	4.54	9.83	-10.02	1	4	0	49	412.53	3	↓ MOL2 SDF SMILES Flexibase

14549654

Analogs

14549659
14549660
14549661
14549651
14549652

Draw Identity 99% 90% 80% 70%

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

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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)	4.54	9.18	-12.04	1	4	0	49	412.53	3	↓ MOL2 SDF SMILES Flexibase

14549659

Analogs

14549660
14549661
14549662
14549651
14549652

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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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)	4.78	9.21	-12.15	1	4	0	49	426.557	3	↓ MOL2 SDF SMILES Flexibase

14549660

Analogs

14549661
14549662
14549651
14549652
14549653

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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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)	4.78	9.79	-11.88	1	4	0	49	426.557	3	↓ MOL2 SDF SMILES Flexibase

14549661

Analogs

14549662
14549651
14549652
14549653
14549654

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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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)	4.78	10.46	-10.43	1	4	0	49	426.557	3	↓ MOL2 SDF SMILES Flexibase

14549662

Analogs

14549659
14549660
14549661
14549651
14549652

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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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)	4.78	10.26	-10	1	4	0	49	426.557	3	↓ MOL2 SDF SMILES Flexibase

14550228

Analogs

14550229
14550230
14550231
14550236
14550237

Draw Identity 99% 90% 80% 70%

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

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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)	4.41	7.83	-13.78	1	5	0	59	424.566	4	↓ MOL2 SDF SMILES Flexibase

14550229

Analogs

14550230
14550231
14550236
14550237
14550238

Draw Identity 99% 90% 80% 70%

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

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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)	4.41	8.56	-13.28	1	5	0	59	424.566	4	↓ MOL2 SDF SMILES Flexibase

14550230

Analogs

14550231
14550236
14550237
14550238
14550239

Draw Identity 99% 90% 80% 70%

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

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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)	4.41	9.07	-9.91	1	5	0	59	424.566	4	↓ MOL2 SDF SMILES Flexibase

14550231

Analogs

14550240
14550241
14550242
14550228
14550229

Draw Identity 99% 90% 80% 70%

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

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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)	4.41	8.41	-10.72	1	5	0	59	424.566	4	↓ MOL2 SDF SMILES Flexibase

14550240

Analogs

14550241
14550242
14550243
14550228
14550229

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.65	8.45	-11.13	1	5	0	59	438.593	4	↓ MOL2 SDF SMILES Flexibase

14550241

Analogs

14550242
14550243
14550228
14550229
14550230

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.65	9.04	-13.85	1	5	0	59	438.593	4	↓ MOL2 SDF SMILES Flexibase

14550242

Analogs

14550243
14550228
14550229
14550230
14550231

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.65	9.69	-9.81	1	5	0	59	438.593	4	↓ MOL2 SDF SMILES Flexibase

14550243

Analogs

14550240
14550241
14550242
14550228
14550229

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.65	9.14	-10.66	1	5	0	59	438.593	4	↓ MOL2 SDF SMILES Flexibase

14550779

Analogs

14550780
14550781
14550782
14550783
14550784

Draw Identity 99% 90% 80% 70%

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

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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)	4.34	9.22	-14.95	1	7	0	95	439.537	4	↓ MOL2 SDF SMILES Flexibase

14550780

Analogs

14550781
14550782
14550783
14550784
14550785

Draw Identity 99% 90% 80% 70%

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

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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)	4.34	9.93	-15.16	1	7	0	95	439.537	4	↓ MOL2 SDF SMILES Flexibase

14550781

Analogs

14550782
14550783
14550784
14550785
14550786

Draw Identity 99% 90% 80% 70%

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

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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)	4.34	10.47	-14.71	1	7	0	95	439.537	4	↓ MOL2 SDF SMILES Flexibase

14550782

Analogs

14550787
14550788
14550789
14550779
14550780

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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)	4.34	9.79	-16.72	1	7	0	95	439.537	4	↓ MOL2 SDF SMILES Flexibase

14550787

Analogs

14550788
14550789
14550790
14550779
14550780

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.58	9.8	-17.13	1	7	0	95	453.564	4	↓ MOL2 SDF SMILES Flexibase

14550788

Analogs

14550789
14550790
14550779
14550780
14550781

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.58	10.39	-15.49	1	7	0	95	453.564	4	↓ MOL2 SDF SMILES Flexibase

14550789

Analogs

14550790
14550779
14550780
14550781
14550782

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.58	11.04	-14.5	1	7	0	95	453.564	4	↓ MOL2 SDF SMILES Flexibase

14550790

Analogs

14550787
14550788
14550789
14550779
14550780

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	4.58	10.87	-14.01	1	7	0	95	453.564	4	↓ MOL2 SDF SMILES Flexibase

14551281

Analogs

14551282
14551283
14551284
14458394
14458395

Draw Identity 99% 90% 80% 70%

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

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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	8.54	-10.56	1	4	0	49	394.54	3	↓ MOL2 SDF SMILES Flexibase

14551282

Analogs

14551283
14551284
14551281
14458394
14458395

Draw Identity 99% 90% 80% 70%

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

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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	9.28	-10.33	1	4	0	49	394.54	3	↓ MOL2 SDF SMILES Flexibase

14551283

Analogs

14551284
14551281
14551282
14458394
14458395

Draw Identity 99% 90% 80% 70%

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

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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	9.78	-9.26	1	4	0	49	394.54	3	↓ MOL2 SDF SMILES Flexibase

14551284

Analogs

14551281
14551282
14551283
14458394
14458395

Draw Identity 99% 90% 80% 70%

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

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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	9.12	-10.44	1	4	0	49	394.54	3	↓ MOL2 SDF SMILES Flexibase

14551289

Analogs

14551290
14551291
14551292
14458404
14458405

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)sulfonyl]- piperidine, 4-methyl-1-[(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)	4.62	9.14	-9.55	1	4	0	49	408.567	3	↓ MOL2 SDF SMILES Flexibase

14551290

Analogs

14551291
14551292
14551289
14458404
14458405

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)sulfonyl]- piperidine, 4-methyl-1-[(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)	4.62	9.72	-10.85	1	4	0	49	408.567	3	↓ MOL2 SDF SMILES Flexibase

14551291

Analogs

14551292
14551289
14551290
14458404
14458405

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)sulfonyl]- piperidine, 4-methyl-1-[(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)	4.62	10.37	-9.15	1	4	0	49	408.567	3	↓ MOL2 SDF SMILES Flexibase

14551292

Analogs

14551289
14551290
14551291
14458404
14458405

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)sulfonyl]- piperidine, 4-methyl-1-[(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)	4.62	9.86	-10.07	1	4	0	49	408.567	3	↓ MOL2 SDF SMILES Flexibase

14551891

Analogs

14551892
14551893
14551894
14551903
14551904

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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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)	4.81	9.54	-10.86	1	4	0	49	440.634	4	↓ MOL2 SDF SMILES Flexibase

14551892

Analogs

14551893
14551894
14551903
14551904
14551905

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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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)	4.81	10.27	-10.95	1	4	0	49	440.634	4	↓ MOL2 SDF SMILES Flexibase

14551893

Analogs

14551894
14551903
14551904
14551905
14551906

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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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)	4.81	10.82	-10.07	1	4	0	49	440.634	4	↓ MOL2 SDF SMILES Flexibase

14551894

Analogs

14551907
14551908
14551909
14551891
14551892

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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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)	4.81	10.14	-11.31	1	4	0	49	440.634	4	↓ MOL2 SDF SMILES Flexibase

14551907

Analogs

14551908
14551909
14551910
14551891
14551892

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	5.05	10.15	-10.88	1	4	0	49	454.661	4	↓ MOL2 SDF SMILES Flexibase

14551908

Analogs

14551909
14551910
14551891
14551892
14551893

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[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)	5.05	10.74	-10.9	1	4	0	49	454.661	4	↓ MOL2 SDF SMILES Flexibase

14551909

Analogs

14551910
14551891
14551892
14551893
14551894

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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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)	5.05	11.39	-9.77	1	4	0	49	454.661	4	↓ MOL2 SDF SMILES Flexibase

14551910

Analogs

14551907
14551908
14551909
14551891
14551892

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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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)	5.05	11.23	-10.02	1	4	0	49	454.661	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243750
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 = 243750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243750&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": "243750"        

    });
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