ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

8979564

Analogs

8979566

Draw Identity 99% 90% 80% 70%

Popular Name: N-acenaphthen-5-yl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-acenaphthen-5-yl-1-(p-tolylsul…

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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)	4.18	-3.65	-22.35	1	5	0	66	420.534	4	↓ MOL2 SDF SMILES Flexibase

8979566

Analogs

8979564

Draw Identity 99% 90% 80% 70%

Popular Name: N-acenaphthen-5-yl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-acenaphthen-5-yl-1-(p-tolylsul…

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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)	4.18	-4.36	-15.42	1	5	0	66	420.534	4	↓ MOL2 SDF SMILES Flexibase

11535357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(acenaphthen-5-ylcarbonylaminomethyl)phenyl]furan-2-carboxamide N-[4-(acenaphthen-5-ylcarbonylam…

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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)	3.96	-1.01	-16.83	2	5	0	71	396.446	5	↓ MOL2 SDF SMILES Flexibase

11813725

Analogs

11813726

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one (E)-1-[(3S)-3-(acenaphthene-5-ca…

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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)	3.42	1.5	-16.78	0	5	0	55	399.494	4	↓ MOL2 SDF SMILES Flexibase

11813726

Analogs

11813725

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one (E)-1-[(3R)-3-(acenaphthene-5-ca…

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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)	3.42	1.5	-16.73	0	5	0	55	399.494	4	↓ MOL2 SDF SMILES Flexibase

11816413

Analogs

11816414

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(5-methylpyrazin-2-yl)methanone [(3S)-3-(acenaphthene-5-carbonyl…

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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)	3.33	-0.16	-13.43	0	5	0	63	385.467	3	↓ MOL2 SDF SMILES Flexibase

11816414

Analogs

11816413

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(5-methylpyrazin-2-yl)methanone [(3R)-3-(acenaphthene-5-carbonyl…

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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)	3.33	-0.16	-13.5	0	5	0	63	385.467	3	↓ MOL2 SDF SMILES Flexibase

11816778

Analogs

11816779

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	3.82	-1.16	-17.34	0	5	0	63	417.534	5	↓ MOL2 SDF SMILES Flexibase

11816779

Analogs

11816778

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-pyrimidin-2-ylsulfanyl-ethanone 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	3.82	-1.16	-17.16	0	5	0	63	417.534	5	↓ MOL2 SDF SMILES Flexibase

11816874

Analogs

11816875

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(1,2,4-triazol-1-yl)propan-1-one 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	2.29	0.97	-15.84	0	6	0	68	388.471	5	↓ MOL2 SDF SMILES Flexibase

11816875

Analogs

11816874

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(1,2,4-triazol-1-yl)propan-1-one 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	2.29	0.97	-15.14	0	6	0	68	388.471	5	↓ MOL2 SDF SMILES Flexibase

11817341

Analogs

11817342

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)methanone [(3R)-3-(acenaphthene-5-carbonyl…

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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)	4.00	0.23	-14.03	0	5	0	56	391.467	3	↓ MOL2 SDF SMILES Flexibase

11817342

Analogs

11817341

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)methanone [(3S)-3-(acenaphthene-5-carbonyl…

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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)	4.00	0.4	-13.83	0	5	0	56	391.467	3	↓ MOL2 SDF SMILES Flexibase

11817677

Analogs

11817678

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(5-methoxy-2-furyl)methanone [(3R)-3-(acenaphthene-5-carbonyl…

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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)	4.02	1.74	-11.73	0	5	0	60	389.451	4	↓ MOL2 SDF SMILES Flexibase

11817678

Analogs

11817677

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(5-methoxy-2-furyl)methanone [(3S)-3-(acenaphthene-5-carbonyl…

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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)	4.02	1.64	-11.79	0	5	0	60	389.451	4	↓ MOL2 SDF SMILES Flexibase

11818290

Analogs

11818291

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-phenyl-ethane-1,2-dione 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	4.01	0.98	-14	0	4	0	54	397.474	4	↓ MOL2 SDF SMILES Flexibase

11818291

Analogs

11818290

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-phenyl-ethane-1,2-dione 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	4.01	0.97	-13.8	0	4	0	54	397.474	4	↓ MOL2 SDF SMILES Flexibase

11819898

Analogs

11819899

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(2-methylimidazol-1-yl)propan-1-one 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	2.91	0.8	-16.1	0	5	0	55	401.51	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.91	1.01	-42.84	1	5	1	56	402.518	5	↓ MOL2 SDF SMILES Flexibase

11819899

Analogs

11819898

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(2-methylimidazol-1-yl)propan-1-one 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	2.91	0.8	-15.85	0	5	0	55	401.51	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.91	1.01	-41.99	1	5	1	56	402.518	5	↓ MOL2 SDF SMILES Flexibase

11839162

Analogs

11839165

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(acenaphthene-5-carbonyl)piperidine-1-carbonyl]chromen-2-one 3-[(3R)-3-(acenaphthene-5-carbon…

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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)	4.11	1.97	-24	0	5	0	68	437.495	3	↓ MOL2 SDF SMILES Flexibase

11839165

Analogs

11839162

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-(acenaphthene-5-carbonyl)piperidine-1-carbonyl]chromen-2-one 3-[(3S)-3-(acenaphthene-5-carbon…

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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)	4.11	1.98	-23.83	0	5	0	68	437.495	3	↓ MOL2 SDF SMILES Flexibase

11839699

Analogs

11839700

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-oxo-ethyl]-6-chloro-pyridazin-3-one 2-[2-[(3R)-3-(acenaphthene-5-car…

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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)	3.49	0.2	-19.37	0	6	0	72	435.911	4	↓ MOL2 SDF SMILES Flexibase

11839700

Analogs

11839699

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-oxo-ethyl]-6-chloro-pyridazin-3-one 2-[2-[(3S)-3-(acenaphthene-5-car…

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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)	3.49	0.2	-18.34	0	6	0	72	435.911	4	↓ MOL2 SDF SMILES Flexibase

11839954

Analogs

11839956

Draw Identity 99% 90% 80% 70%

Popular Name: acenaphthen-5-yl-[(3R)-1-(2-furylmethyl)-3-piperidyl]methanone acenaphthen-5-yl-[(3R)-1-(2-fury…

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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)	4.20	2.35	-42.5	1	3	1	35	346.45	4	↓ MOL2 SDF SMILES Flexibase

11839956

Analogs

11839954

Draw Identity 99% 90% 80% 70%

Popular Name: acenaphthen-5-yl-[(3S)-1-(2-furylmethyl)-3-piperidyl]methanone acenaphthen-5-yl-[(3S)-1-(2-fury…

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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)	4.20	2.42	-41.68	1	3	1	35	346.45	4	↓ MOL2 SDF SMILES Flexibase

11841072

Analogs

11841075

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	3.27	-2.3	-15.33	0	6	0	76	435.549	6	↓ MOL2 SDF SMILES Flexibase

11841075

Analogs

11841072

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	3.27	-2.29	-15.1	0	6	0	76	435.549	6	↓ MOL2 SDF SMILES Flexibase

11843167

Analogs

11843168

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	3.41	-2.62	-16.54	2	6	0	89	438.578	5	↓ MOL2 SDF SMILES Flexibase

11843168

Analogs

11843167

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	3.41	-2.61	-16.34	2	6	0	89	438.578	5	↓ MOL2 SDF SMILES Flexibase

11985309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylthiazol-2-yl)acenaphthene-5-carboxamide N-(4-methylthiazol-2-yl)acenapht…

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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)	3.39	-0.8	-11.35	1	3	0	42	294.379	2	↓ MOL2 SDF SMILES Flexibase

53494934

Analogs

43905471
43905475

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,2-dihydroacenaphthylen-5-yl)-3-(3-pyridylmethyl)urea 1-(1,2-dihydroacenaphthylen-5-yl…

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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)	2.89	7.57	-11.57	2	4	0	54	303.365	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.89	8.04	-43.62	3	4	1	55	304.373	3	↓ MOL2 SDF SMILES Flexibase

53496581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,2-dihydroacenaphthylen-5-ylamino)-N,N-dimethyl-acetamide 2-(1,2-dihydroacenaphthylen-5-yl…

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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)	1.99	7.11	-10.8	1	3	0	32	254.333	3	↓ MOL2 SDF SMILES Flexibase

11997781

Analogs

11997783

Draw Identity 99% 90% 80% 70%

Popular Name: acenaphthen-5-yl-[(3R)-1-(thiazole-5-carbonyl)-3-piperidyl]methanone acenaphthen-5-yl-[(3R)-1-(thiazo…

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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)	3.75	-0.31	-14.07	0	4	0	50	376.481	3	↓ MOL2 SDF SMILES Flexibase

11997783

Analogs

11997781

Draw Identity 99% 90% 80% 70%

Popular Name: acenaphthen-5-yl-[(3S)-1-(thiazole-5-carbonyl)-3-piperidyl]methanone acenaphthen-5-yl-[(3S)-1-(thiazo…

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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)	3.75	-0.34	-13.83	0	4	0	50	376.481	3	↓ MOL2 SDF SMILES Flexibase

11998661

Analogs

11998664

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(1,5-dimethylpyrazol-3-yl)methanone [(3R)-3-(acenaphthene-5-carbonyl…

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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)	3.49	1.14	-15.23	0	5	0	55	387.483	3	↓ MOL2 SDF SMILES Flexibase

11998664

Analogs

11998661

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(1,5-dimethylpyrazol-3-yl)methanone [(3S)-3-(acenaphthene-5-carbonyl…

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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)	3.49	0.97	-15.22	0	5	0	55	387.483	3	↓ MOL2 SDF SMILES Flexibase

11999642

Analogs

11999644

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	3.94	-0.68	-15.77	1	5	0	66	415.537	5	↓ MOL2 SDF SMILES Flexibase

11999644

Analogs

11999642

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	3.94	-0.69	-15.94	1	5	0	66	415.537	5	↓ MOL2 SDF SMILES Flexibase

11999885

Analogs

11999889

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-pyrazin-2-yl-propan-1-one 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	3.48	-0.51	-14.84	0	5	0	63	399.494	5	↓ MOL2 SDF SMILES Flexibase

11999889

Analogs

11999885

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-3-pyrazin-2-yl-propan-1-one 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	3.48	-0.52	-14.4	0	5	0	63	399.494	5	↓ MOL2 SDF SMILES Flexibase

12005301

Analogs

12005306

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone 1-[(3R)-3-(acenaphthene-5-carbon…

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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)	2.01	0.98	-22.46	0	6	0	68	374.444	4	↓ MOL2 SDF SMILES Flexibase

12005306

Analogs

12005301

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-(1,2,4-triazol-1-yl)ethanone 1-[(3S)-3-(acenaphthene-5-carbon…

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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)	2.01	0.98	-22.84	0	6	0	68	374.444	4	↓ MOL2 SDF SMILES Flexibase

12025324

Analogs

12025334

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[(3R)-3-(acenaphthene-5-car…

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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)	2.62	0.18	-19.3	0	5	0	58	390.483	4	↓ MOL2 SDF SMILES Flexibase

12025334

Analogs

12025324

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[(3S)-3-(acenaphthene-5-car…

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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)	2.62	0.18	-20.74	0	5	0	58	390.483	4	↓ MOL2 SDF SMILES Flexibase

12209722

Analogs

12209727

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(1-ethylpyrazol-4-yl)methanone [(3R)-3-(acenaphthene-5-carbonyl…

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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)	2.86	0.97	-14.5	0	5	0	55	387.483	4	↓ MOL2 SDF SMILES Flexibase

12209727

Analogs

12209722

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-(acenaphthene-5-carbonyl)-1-piperidyl]-(1-ethylpyrazol-4-yl)methanone [(3S)-3-(acenaphthene-5-carbonyl…

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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)	2.86	0.96	-16.72	0	5	0	55	387.483	4	↓ MOL2 SDF SMILES Flexibase

12209750

Analogs

12209755

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(acenaphthene-5-carbonyl)-N,N-dimethyl-piperidine-1-sulfonamide (3R)-3-(acenaphthene-5-carbonyl)…

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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)	2.93	-3.59	-16.8	0	5	0	58	372.49	4	↓ MOL2 SDF SMILES Flexibase

12209755

Analogs

12209750

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(acenaphthene-5-carbonyl)-N,N-dimethyl-piperidine-1-sulfonamide (3S)-3-(acenaphthene-5-carbonyl)…

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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)	2.93	-3.56	-13.81	0	5	0	58	372.49	4	↓ MOL2 SDF SMILES Flexibase

12216883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: acenaphthen-5-yl-(9-thia-4-azabicyclo[4.3.0]nona-7,10-dien-4-yl)methanone acenaphthen-5-yl-(9-thia-4-azabi…

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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)	3.45	-0.34	-11.89	0	2	0	20	319.429	1	↓ MOL2 SDF SMILES Flexibase

12224433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-acenaphthen-3-ylsulfonylpiperazin-1-yl)-6-methoxy-2-methyl-pyrimidine 4-(4-acenaphthen-3-ylsulfonylpip…

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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)	2.81	-7.51	-13.34	0	7	0	76	424.526	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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