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ZINC Item

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52942881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(3-nitrophenyl)methyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(3-nitrophenyl)methy…

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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)	2.94	10.38	-17.69	0	5	0	68	284.315	3	↓ MOL2 SDF SMILES Flexibase

52942882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-nitrophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(3-nitrophenyl)methyl]-6,7-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)	2.72	10.13	-17.49	0	5	0	68	270.288	3	↓ MOL2 SDF SMILES Flexibase

11814092

Analogs

12587032
14949719
41706411
41706414
41706423

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-methyl-acetamide 2-(1-benzyl-2-methyl-4-oxo-6,7-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)	2.22	0.02	-17.44	1	4	0	51	310.397	4	↓ MOL2 SDF SMILES Flexibase

11815294

Analogs

11815296

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-[(2R)-2-hydroxypropyl]acet 2-[1-[(4-fluorophenyl)methyl]-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)	2.12	-1.72	-19.59	2	5	0	71	372.44	6	↓ MOL2 SDF SMILES Flexibase

11815296

Analogs

11815294

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-[(2S)-2-hydroxypropyl]acet 2-[1-[(4-fluorophenyl)methyl]-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)	2.12	-1.79	-18.88	2	5	0	71	372.44	6	↓ MOL2 SDF SMILES Flexibase

11816949

Analogs

41686585
41686587
41707374
41707377
41707380

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-propyl-acetamide 2-[1-[(2-fluorophenyl)methyl]-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)	3.22	0.57	-17.46	1	4	0	51	356.441	6	↓ MOL2 SDF SMILES Flexibase

11818352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]aceta N-(2-amino-2-oxo-ethyl)-2-[1-[(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)	1.07	-2.63	-20.15	3	6	0	94	371.412	6	↓ MOL2 SDF SMILES Flexibase

11840594

Analogs

15062169
15070361

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-isopropyl-N-methyl-acetami 2-[1-[(4-fluorophenyl)methyl]-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)	3.30	3.21	-19.42	0	4	0	42	370.468	5	↓ MOL2 SDF SMILES Flexibase

11841899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(2-methylsulfanylethyl)ace 2-[1-[(2-fluorophenyl)methyl]-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)	2.86	0.07	-18.66	1	4	0	51	388.508	7	↓ MOL2 SDF SMILES Flexibase

11998778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]acetyl]amino]propana (2S)-2-[[2-[1-[(4-fluorophenyl)m…

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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	-1.67	-20.22	3	6	0	94	385.439	6	↓ MOL2 SDF SMILES Flexibase

12030278

Analogs

12430609

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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)	2.44	3.86	-23.73	0	6	0	69	400.45	7	↓ MOL2 SDF SMILES Flexibase

41686473

Analogs

1719363
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2,4-dichlorophenyl)et…

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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)	4.43	10.56	-10.39	0	2	0	22	308.208	2	↓ MOL2 SDF SMILES Flexibase

41686475

Analogs

1719363
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2,4-dichlorophenyl)et…

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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)	4.43	10.58	-10.23	0	2	0	22	308.208	2	↓ MOL2 SDF SMILES Flexibase

41686581

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-fluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(2-fluorophenyl)methyl]-2-met…

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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	9.77	-13.98	0	2	0	22	257.308	2	↓ MOL2 SDF SMILES Flexibase

41686583

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-fluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(2-fluorophenyl)methyl]-6,7-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)	2.90	9.53	-14.01	0	2	0	22	243.281	2	↓ MOL2 SDF SMILES Flexibase

41686585

Analogs

14978964
11816949
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-fluorophenyl)methyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(2-fluorophenyl)methyl]-2,6,6…

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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)	4.01	10.69	-13.32	0	2	0	22	285.362	2	↓ MOL2 SDF SMILES Flexibase

41686587

Analogs

1719363
14978964

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(2-fluorophenyl)methyl]-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)	3.79	10.45	-13.44	0	2	0	22	271.335	2	↓ MOL2 SDF SMILES Flexibase

41686633

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(p-tolylmethyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(p-tolylmethyl)-6,7-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)	3.46	10.55	-12.53	0	2	0	22	253.345	2	↓ MOL2 SDF SMILES Flexibase

41686635

Analogs

1719363
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(p-tolylmethyl)-6,7-dihydro-5H-indol-4-one 1-(p-tolylmethyl)-6,7-dihydro-5H…

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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)	3.24	10.1	-12.25	0	2	0	22	239.318	2	↓ MOL2 SDF SMILES Flexibase

41686637

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-(p-tolylmethyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(p-tolylmethyl…

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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)	4.35	11.48	-11.95	0	2	0	22	281.399	2	↓ MOL2 SDF SMILES Flexibase

41686639

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(p-tolylmethyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(p-tolylmethyl)-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)	4.12	11.03	-11.69	0	2	0	22	267.372	2	↓ MOL2 SDF SMILES Flexibase

41686645

Analogs

1719363
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-phenylethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-phenylethyl]-6,7-dihyd…

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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	9.68	-11.7	0	2	0	22	239.318	2	↓ MOL2 SDF SMILES Flexibase

41686647

Analogs

1719363
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-phenylethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-phenylethyl]-6,7-dihyd…

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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	9.67	-11.56	0	2	0	22	239.318	2	↓ MOL2 SDF SMILES Flexibase

41686649

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1S)-1-phenylethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1S)-1-phenyl…

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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)	4.26	10.61	-10.93	0	2	0	22	281.399	2	↓ MOL2 SDF SMILES Flexibase

41686651

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1R)-1-phenylethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1R)-1-phenyl…

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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)	4.26	10.85	-10.92	0	2	0	22	281.399	2	↓ MOL2 SDF SMILES Flexibase

41686653

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S)-1-phenylethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-phenyleth…

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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)	4.04	10.6	-11.19	0	2	0	22	267.372	2	↓ MOL2 SDF SMILES Flexibase

41686655

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-1-phenylethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-phenyleth…

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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)	4.04	10.59	-10.97	0	2	0	22	267.372	2	↓ MOL2 SDF SMILES Flexibase

41686718

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(4-fluorophenyl)methyl]-2-met…

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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)	3.17	9.73	-14.52	0	2	0	22	257.308	2	↓ MOL2 SDF SMILES Flexibase

41686720

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(4-fluorophenyl)methyl]-6,7-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)	2.95	9.49	-14.39	0	2	0	22	243.281	2	↓ MOL2 SDF SMILES Flexibase

41686722

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(4-fluorophenyl)methyl]-2,6,6…

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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)	4.06	10.66	-13.93	0	2	0	22	285.362	2	↓ MOL2 SDF SMILES Flexibase

41686724

Analogs

1719363
4937865

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(4-fluorophenyl)methyl]-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)	3.84	10.41	-13.82	0	2	0	22	271.335	2	↓ MOL2 SDF SMILES Flexibase

41705370

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-bromophenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(4-bromophenyl)methyl]-2-meth…

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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	10.29	-13.69	0	2	0	22	318.214	2	↓ MOL2 SDF SMILES Flexibase

41705374

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-bromophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(4-bromophenyl)methyl]-6,7-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)	3.60	10.04	-13.46	0	2	0	22	304.187	2	↓ MOL2 SDF SMILES Flexibase

41705377

Analogs

1719363
3672597

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-bromophenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(4-bromophenyl)methyl]-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)	4.48	10.97	-12.98	0	2	0	22	332.241	2	↓ MOL2 SDF SMILES Flexibase

41705431

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-6,6-dimethyl-5,7-dihydroindol-4-one 1-benzyl-6,6-dimethyl-5,7-dihydr…

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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	10.34	-11.74	0	2	0	22	253.345	2	↓ MOL2 SDF SMILES Flexibase

41705587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-indol-4-one 1-[[3-(trifluoromethyl)phenyl]me…

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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)	3.66	10.41	-13.4	0	2	0	22	293.288	3	↓ MOL2 SDF SMILES Flexibase

41705632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(4-methoxyphenyl)methyl]-6,7-…

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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)	2.84	8.72	-14.03	0	3	0	31	255.317	3	↓ MOL2 SDF SMILES Flexibase

41705636

Analogs

2562135

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(4-methoxyphenyl)methyl]-6,6-…

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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)	3.73	9.64	-13.5	0	3	0	31	283.371	3	↓ MOL2 SDF SMILES Flexibase

41705658

Analogs

1719363
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-oxo-6,7-dihydro-5H-indol-1-yl)methyl]benzenesulfonamide 4-[(4-oxo-6,7-dihydro-5H-indol-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)	1.48	4.39	-21.97	2	5	0	82	304.371	3	↓ MOL2 SDF SMILES Flexibase

41705688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-chlorophenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(2-chlorophenyl)methyl]-2-met…

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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	9.95	-12.75	0	2	0	22	273.763	2	↓ MOL2 SDF SMILES Flexibase

41705693

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(2-chlorophenyl)methyl]-6,7-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)	3.42	9.75	-13.1	0	2	0	22	259.736	2	↓ MOL2 SDF SMILES Flexibase

41705697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(2-chlorophenyl)methyl]-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)	4.31	10.67	-12.53	0	2	0	22	287.79	2	↓ MOL2 SDF SMILES Flexibase

41705829

Analogs

43352770
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(2-methoxyphenyl)methyl]-2-me…

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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)	3.02	9.44	-13.21	0	3	0	31	269.344	3	↓ MOL2 SDF SMILES Flexibase

41705833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(2-methoxyphenyl)methyl]-6,7-…

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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)	2.80	8.84	-13.11	0	3	0	31	255.317	3	↓ MOL2 SDF SMILES Flexibase

41705837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-methoxyphenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(2-methoxyphenyl)methyl]-6,6-…

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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)	3.68	9.77	-12.5	0	3	0	31	283.371	3	↓ MOL2 SDF SMILES Flexibase

41705996

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(4-chlorophenyl)methyl]-6,7-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)	3.47	9.94	-13.55	0	2	0	22	259.736	2	↓ MOL2 SDF SMILES Flexibase

41706000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(4-chlorophenyl)methyl]-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)	4.35	10.86	-13	0	2	0	22	287.79	2	↓ MOL2 SDF SMILES Flexibase

41706139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(3-fluorophenyl)methyl]-2-met…

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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	9.73	-13.47	0	2	0	22	257.308	2	↓ MOL2 SDF SMILES Flexibase

41706142

Analogs

1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-indol-4-one 1-[(3-fluorophenyl)methyl]-6,7-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)	2.93	9.49	-13.06	0	2	0	22	243.281	2	↓ MOL2 SDF SMILES Flexibase

41706146

Analogs

38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(3-fluorophenyl)methyl]-2,6,6…

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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)	4.04	10.66	-12.86	0	2	0	22	285.362	2	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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