ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12401291

Analogs

2381396

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]-3-methyl-butanamide N-[(3R)-1-benzyl-2,4-dioxo-3-(tr…

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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)	3.31	2.18	-15.97	1	5	0	66	408.42	6	↓ MOL2 SDF SMILES Flexibase

12401293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-benzyl-2,4-dioxo-3-(trifluoromethyl)-6,7-dihydro-5H-indol-3-yl]-3-methyl-butanamide N-[(3S)-1-benzyl-2,4-dioxo-3-(tr…

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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)	3.31	2.2	-15.63	1	5	0	66	408.42	6	↓ MOL2 SDF SMILES Flexibase

12401900

Analogs

12401901
12401902
12401903

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[(1S)-1-phenylethyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-m N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	4.64	3.07	-15.83	1	6	0	76	500.517	6	↓ MOL2 SDF SMILES Flexibase

12401901

Analogs

12401902
12401903
12401900

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[(1R)-1-phenylethyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-m N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	4.64	3.85	-23.78	1	6	0	76	500.517	6	↓ MOL2 SDF SMILES Flexibase

12401902

Analogs

12401903
12401900
12401901

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-[(1S)-1-phenylethyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-m N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	4.64	3.43	-16.02	1	6	0	76	500.517	6	↓ MOL2 SDF SMILES Flexibase

12401903

Analogs

12401900
12401901
12401902

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-[(1R)-1-phenylethyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-m N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	4.64	3.07	-15.93	1	6	0	76	500.517	6	↓ MOL2 SDF SMILES Flexibase

12402177

Analogs

12402178
12402179
12402180

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl 2,4-dichloro-N-[(3R)-6,6-dimethy…

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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)	4.28	1.54	-19.42	1	6	0	76	519.347	5	↓ MOL2 SDF SMILES Flexibase

12402178

Analogs

12402179
12402180
12402177

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl 2,4-dichloro-N-[(3S)-6,6-dimethy…

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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)	4.28	0.94	-17.09	1	6	0	76	519.347	5	↓ MOL2 SDF SMILES Flexibase

12402179

Analogs

12402180
12402177
12402178

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl 2,4-dichloro-N-[(3R)-6,6-dimethy…

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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)	4.28	0.96	-16.57	1	6	0	76	519.347	5	↓ MOL2 SDF SMILES Flexibase

12402180

Analogs

12402177
12402178
12402179

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl 2,4-dichloro-N-[(3S)-6,6-dimethy…

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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)	4.28	1.24	-27.79	1	6	0	76	519.347	5	↓ MOL2 SDF SMILES Flexibase

12402181

Analogs

12402182
12402183
12402184

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydro N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.55	1.87	-21.6	1	7	0	85	480.483	6	↓ MOL2 SDF SMILES Flexibase

12402182

Analogs

12402183
12402184
12402181

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydro N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.55	2.32	-26.94	1	7	0	85	480.483	6	↓ MOL2 SDF SMILES Flexibase

12402183

Analogs

12402184
12402181
12402182

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydro N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.55	2.02	-30.38	1	7	0	85	480.483	6	↓ MOL2 SDF SMILES Flexibase

12402184

Analogs

12402181
12402182

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydro N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.55	2.14	-17.54	1	7	0	85	480.483	6	↓ MOL2 SDF SMILES Flexibase

12402185

Analogs

12402186

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-phenethyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carb N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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	2.12	-16.23	1	6	0	79	471.479	6	↓ MOL2 SDF SMILES Flexibase

12402186

Analogs

12402185

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-phenethyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carb N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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	2.12	-16.07	1	6	0	79	471.479	6	↓ MOL2 SDF SMILES Flexibase

12402187

Analogs

12402188

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(3R)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroin 3-chloro-N-[(3R)-1-[(4-fluorophe…

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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)	4.84	3.68	-25.21	1	5	0	66	508.899	5	↓ MOL2 SDF SMILES Flexibase

12402188

Analogs

12402187

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[(3S)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroin 3-chloro-N-[(3S)-1-[(4-fluorophe…

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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)	4.84	3.71	-25.08	1	5	0	66	508.899	5	↓ MOL2 SDF SMILES Flexibase

12402189

Analogs

9134605

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-di (3R)-3-hydroxy-1-[(4-methoxyphen…

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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)	2.63	1.48	-20.1	1	5	0	67	383.366	4	↓ MOL2 SDF SMILES Flexibase

12402190

Analogs

12402191
2871511

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-tert-butyl-benz N-[(3R)-1-benzyl-6,6-dimethyl-2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.73	3.93	-15.89	1	5	0	66	512.572	6	↓ MOL2 SDF SMILES Flexibase

12402191

Analogs

12402190
2871511

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-tert-butyl-benz N-[(3S)-1-benzyl-6,6-dimethyl-2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.73	4.27	-24.84	1	5	0	66	512.572	6	↓ MOL2 SDF SMILES Flexibase

12402192

Analogs

12402193

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxa N-[(3R)-1-benzyl-6,6-dimethyl-2,…

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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)	2.73	1.99	-16.77	1	6	0	79	457.452	5	↓ MOL2 SDF SMILES Flexibase

12402193

Analogs

12402192

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxa N-[(3S)-1-benzyl-6,6-dimethyl-2,…

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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)	2.73	2.34	-24.85	1	6	0	79	457.452	5	↓ MOL2 SDF SMILES Flexibase

12402194

Analogs

12402195
12402196
12402197

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohe N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.36	1.54	-14.21	1	6	0	79	463.5	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.36	1.66	-51.96	2	6	1	81	464.508	5	↓ MOL2 SDF SMILES Flexibase

12402195

Analogs

12402196
12402197
12402194

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohe N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.36	1.88	-28.31	1	6	0	79	463.5	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.36	2	-55.67	2	6	1	81	464.508	5	↓ MOL2 SDF SMILES Flexibase

12402196

Analogs

12402197
12402194
12402195

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclohexyl-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol 3-cyclohexyl-N-[(3R)-6,6-dimethy…

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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)	4.09	10.98	-14.45	1	6	0	79	491.554	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.09	11.26	-52.24	2	6	1	81	492.562	7	↓ MOL2 SDF SMILES Flexibase

12402197

Analogs

12402194
12402195

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclohexyl-N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol 3-cyclohexyl-N-[(3S)-6,6-dimethy…

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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)	4.09	11.14	-14.91	1	6	0	79	491.554	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.09	11.42	-52.22	2	6	1	81	492.562	7	↓ MOL2 SDF SMILES Flexibase

12402198

Analogs

12402199

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phen N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.40	10.93	-15.5	1	6	0	79	485.506	7	↓ MOL2 SDF SMILES Flexibase

12402199

Analogs

12402198

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phen N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	3.40	10.81	-15.48	1	6	0	79	485.506	7	↓ MOL2 SDF SMILES Flexibase

12402200

Analogs

12402201

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridin N-[(3R)-6,6-dimethyl-2,4-dioxo-1…

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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)	1.50	1.54	-27.23	1	7	0	92	458.44	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	1.65	-58.96	2	7	1	94	459.448	5	↓ MOL2 SDF SMILES Flexibase

12402201

Analogs

12402200

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridin N-[(3S)-6,6-dimethyl-2,4-dioxo-1…

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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)	1.50	1.54	-29.73	1	7	0	92	458.44	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	1.65	-58.09	2	7	1	94	459.448	5	↓ MOL2 SDF SMILES Flexibase

12402202

Analogs

12402203

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Popular Name: N-[(3R)-1-(2-furylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenyl N-[(3R)-1-(2-furylmethyl)-6,6-di…

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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)	3.89	3.4	-13.95	1	6	0	80	474.479	7	↓ MOL2 SDF SMILES Flexibase

12402203

Analogs

12402202

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(2-furylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenyl N-[(3S)-1-(2-furylmethyl)-6,6-di…

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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)	3.89	3.39	-14.57	1	6	0	80	474.479	7	↓ MOL2 SDF SMILES Flexibase

12402204

Analogs

12402205

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(3R)-1-(2-furylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl] 4-fluoro-N-[(3R)-1-(2-furylmethy…

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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)	3.44	4.01	-14.37	1	6	0	80	464.415	5	↓ MOL2 SDF SMILES Flexibase

12402205

Analogs

12402204

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(3S)-1-(2-furylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl] 4-fluoro-N-[(3S)-1-(2-furylmethy…

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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)	3.44	4.39	-25.16	1	6	0	80	464.415	5	↓ MOL2 SDF SMILES Flexibase

12402206

Analogs

12402207

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-(3,4-dichlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benz N-[(3R)-1-(3,4-dichlorophenyl)-6…

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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)	5.60	2.71	-13.6	1	5	0	66	511.327	4	↓ MOL2 SDF SMILES Flexibase

12402207

Analogs

12402206

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(3,4-dichlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benz N-[(3S)-1-(3,4-dichlorophenyl)-6…

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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)	5.60	3.1	-20.61	1	5	0	66	511.327	4	↓ MOL2 SDF SMILES Flexibase

12402208

Analogs

12402209

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-(3-chloro-4-fluoro-phenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-y N-[(3R)-1-(3-chloro-4-fluoro-phe…

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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)	5.09	3.56	-14	1	5	0	66	494.872	4	↓ MOL2 SDF SMILES Flexibase

12402209

Analogs

12402208

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(3-chloro-4-fluoro-phenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-y N-[(3S)-1-(3-chloro-4-fluoro-phe…

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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)	5.09	3.95	-21.24	1	5	0	66	494.872	4	↓ MOL2 SDF SMILES Flexibase

12402210

Analogs

12402211

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-(3-chloro-4-fluoro-phenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-y N-[(3R)-1-(3-chloro-4-fluoro-phe…

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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)	3.85	3.18	-18.19	1	6	0	79	495.86	4	↓ MOL2 SDF SMILES Flexibase

12402211

Analogs

12402210

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(3-chloro-4-fluoro-phenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-y N-[(3S)-1-(3-chloro-4-fluoro-phe…

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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)	3.85	2.78	-13.45	1	6	0	79	495.86	4	↓ MOL2 SDF SMILES Flexibase

12402212

Analogs

12402213

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine N-[(3R)-1-(4-chlorophenyl)-6,6-d…

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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)	3.71	2.06	-13.22	1	6	0	79	477.87	4	↓ MOL2 SDF SMILES Flexibase

12402213

Analogs

12402212

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine N-[(3S)-1-(4-chlorophenyl)-6,6-d…

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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)	3.71	2.06	-13.88	1	6	0	79	477.87	4	↓ MOL2 SDF SMILES Flexibase

12402214

Analogs

12402215

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1,3-benzothiazol-2-ylamino)-1-(4-fluorophenyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroi (3R)-3-(1,3-benzothiazol-2-ylami…

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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)	5.71	2.89	-18.25	1	5	0	62	489.494	4	↓ MOL2 SDF SMILES Flexibase

12402215

Analogs

12402214

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1,3-benzothiazol-2-ylamino)-1-(4-fluorophenyl)-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroi (3S)-3-(1,3-benzothiazol-2-ylami…

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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)	5.71	2.89	-18.54	1	5	0	62	489.494	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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