ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

39499074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2,5-dimethoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-2,5-…

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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)	5.49	13.63	-6.78	0	3	0	22	357.453	5	↓ MOL2 SDF SMILES Flexibase

39499080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-2-methoxy-5-methylsulfanyl-isoindoline (1E)-6-benzyl-1-benzylidene-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)	5.86	14.09	-6.52	0	2	0	12	373.521	5	↓ MOL2 SDF SMILES Flexibase

39499086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-2-methoxy-isoindolin-5-ol (1E)-6-benzyl-1-benzylidene-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)	5.42	10.93	-8.2	1	3	0	33	343.426	4	↓ MOL2 SDF SMILES Flexibase

39499087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-fluoro-2-methoxy-isoindoline (1E)-6-benzyl-1-benzylidene-5-fl…

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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)	5.59	13.57	-5.87	0	2	0	12	345.417	4	↓ MOL2 SDF SMILES Flexibase

39499105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-chloro-2-methoxy-isoindoline (1E)-6-benzyl-1-benzylidene-5-ch…

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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)	6.11	13.81	-5.62	0	2	0	12	361.872	4	↓ MOL2 SDF SMILES Flexibase

39499110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-bromo-2-methoxy-isoindoline (1E)-6-benzyl-1-benzylidene-5-br…

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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)	6.24	13.96	-5.41	0	2	0	12	406.323	4	↓ MOL2 SDF SMILES Flexibase

39499117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-iodo-2-methoxy-isoindoline (1E)-6-benzyl-1-benzylidene-5-io…

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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)	6.51	14.38	-5.29	0	2	0	12	453.323	4	↓ MOL2 SDF SMILES Flexibase

39499120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-ethoxy-2-methoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-5-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)	5.86	14.57	-6.43	0	3	0	22	371.48	6	↓ MOL2 SDF SMILES Flexibase

39499134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-isopropylsulfonyl-2-methoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-5-is…

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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)	5.48	13.1	-11.92	0	4	0	47	433.573	6	↓ MOL2 SDF SMILES Flexibase

39499161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-methoxy-2-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-5-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)	6.03	14.48	-5.89	0	2	0	12	373.521	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.03	14.79	-31.74	1	2	1	14	374.529	5	↓ MOL2 SDF SMILES Flexibase

39499163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2,5-bis(methylsulfanyl)isoindoline (1Z)-6-benzyl-1-benzylidene-2,5-…

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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)	6.40	15.75	-5.38	0	1	0	3	389.589	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.40	16.05	-31.87	1	1	1	4	390.597	5	↓ MOL2 SDF SMILES Flexibase

39499175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-fluoro-2-methylsulfanyl-isoindoline (1E)-6-benzyl-1-benzylidene-5-fl…

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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)	6.13	14.9	-4.71	0	1	0	3	361.485	4	↓ MOL2 SDF SMILES Flexibase

39499177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-2-methylsulfanyl-isoindolin-5-ol (1E)-6-benzyl-1-benzylidene-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)	5.96	12.26	-6.75	1	2	0	23	359.494	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.96	12.07	-34.39	2	2	1	25	360.502	4	↓ MOL2 SDF SMILES Flexibase

39499186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-chloro-2-methylsulfanyl-isoindoline (1E)-6-benzyl-1-benzylidene-5-ch…

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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)	6.65	15.14	-4.39	0	1	0	3	377.94	4	↓ MOL2 SDF SMILES Flexibase

39499191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-bromo-2-methylsulfanyl-isoindoline (1E)-6-benzyl-1-benzylidene-5-br…

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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)	6.78	15.29	-4.29	0	1	0	3	422.391	4	↓ MOL2 SDF SMILES Flexibase

39499197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-6-benzyl-1-benzylidene-5-iodo-2-methylsulfanyl-isoindoline (1E)-6-benzyl-1-benzylidene-5-io…

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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)	7.05	15.71	-4.13	0	1	0	3	469.391	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	7.05	15.53	-34.48	1	1	1	4	470.399	4	↓ MOL2 SDF SMILES Flexibase

39499207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-ethoxy-2-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-5-et…

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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)	6.40	15.42	-5.54	0	2	0	12	387.548	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.40	15.72	-31.64	1	2	1	14	388.556	6	↓ MOL2 SDF SMILES Flexibase

39499216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-isopropylsulfonyl-2-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-5-is…

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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)	6.02	13.84	-10.67	0	3	0	37	449.641	6	↓ MOL2 SDF SMILES Flexibase

39499240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-hydroxy-5-methoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-2-hy…

Find On: PubMed — Wikipedia — Google

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)	5.21	11.24	-8.99	1	3	0	33	343.426	4	↓ MOL2 SDF SMILES Flexibase

39499247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-hydroxy-5-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-hy…

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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)	5.59	12.51	-8.47	1	2	0	23	359.494	4	↓ MOL2 SDF SMILES Flexibase

39499251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-hydroxy-isoindolin-5-ol (1Z)-6-benzyl-1-benzylidene-2-hy…

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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)	5.14	9.27	-8.65	2	3	0	44	329.399	3	↓ MOL2 SDF SMILES Flexibase

39499254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-fluoro-2-hydroxy-isoindoline (1Z)-6-benzyl-1-benzylidene-5-fl…

Find On: PubMed — Wikipedia — Google

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)	5.32	11.78	-7.9	1	2	0	23	331.39	3	↓ MOL2 SDF SMILES Flexibase

39499267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-chloro-2-hydroxy-isoindoline (1Z)-6-benzyl-1-benzylidene-5-ch…

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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)	5.83	12.02	-7.53	1	2	0	23	347.845	3	↓ MOL2 SDF SMILES Flexibase

39499276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-bromo-2-hydroxy-isoindoline (1Z)-6-benzyl-1-benzylidene-5-br…

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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)	5.96	12.11	-7.37	1	2	0	23	392.296	3	↓ MOL2 SDF SMILES Flexibase

39499277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-hydroxy-5-iodo-isoindoline (1Z)-6-benzyl-1-benzylidene-2-hy…

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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)	6.24	12.5	-7.2	1	2	0	23	439.296	3	↓ MOL2 SDF SMILES Flexibase

39499291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-ethoxy-2-hydroxy-isoindoline (1Z)-6-benzyl-1-benzylidene-5-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)	5.59	12.18	-8.62	1	3	0	33	357.453	5	↓ MOL2 SDF SMILES Flexibase

39499300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-hydroxy-5-isopropylsulfonyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-hy…

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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)	5.20	10.61	-13.37	1	4	0	58	419.546	5	↓ MOL2 SDF SMILES Flexibase

39499319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-fluoro-5-methoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-2-fl…

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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)	5.59	13.33	-7.62	0	2	0	12	345.417	4	↓ MOL2 SDF SMILES Flexibase

39499330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-fluoro-5-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-fl…

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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)	5.97	14.59	-7.12	0	1	0	3	361.485	4	↓ MOL2 SDF SMILES Flexibase

39499337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-fluoro-isoindolin-5-ol (1Z)-6-benzyl-1-benzylidene-2-fl…

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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)	5.52	11.34	-7.38	1	2	0	23	331.39	3	↓ MOL2 SDF SMILES Flexibase

39499344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2,5-difluoro-isoindoline (1Z)-6-benzyl-1-benzylidene-2,5-…

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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)	5.70	13.85	-6.82	0	1	0	3	333.381	3	↓ MOL2 SDF SMILES Flexibase

39499351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-chloro-2-fluoro-isoindoline (1Z)-6-benzyl-1-benzylidene-5-ch…

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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)	6.21	14.09	-6.51	0	1	0	3	349.836	3	↓ MOL2 SDF SMILES Flexibase

39499360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-5-bromo-2-fluoro-isoindoline (1Z)-6-benzyl-1-benzylidene-5-br…

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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)	6.34	14.23	-6.35	0	1	0	3	394.287	3	↓ MOL2 SDF SMILES Flexibase

39499364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-fluoro-5-iodo-isoindoline (1Z)-6-benzyl-1-benzylidene-2-fl…

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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)	6.62	14.61	-6.16	0	1	0	3	441.287	3	↓ MOL2 SDF SMILES Flexibase

39499371

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-5-ethoxy-2-fluoro-isoindoline (1Z)-6-benzyl-1-benzylidene-5-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)	5.97	14.27	-7.25	0	2	0	12	359.444	5	↓ MOL2 SDF SMILES Flexibase

39499385

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-2-fluoro-5-isopropylsulfonyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-fl…

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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)	5.58	12.8	-13.03	0	3	0	37	421.537	5	↓ MOL2 SDF SMILES Flexibase

39499406

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-5-methoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	6.11	13.76	-6.21	0	2	0	12	361.872	4	↓ MOL2 SDF SMILES Flexibase

39499413

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-5-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	6.48	15.02	-5.7	0	1	0	3	377.94	4	↓ MOL2 SDF SMILES Flexibase

39499420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-isoindolin-5-ol (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	6.04	11.77	-5.96	1	2	0	23	347.845	3	↓ MOL2 SDF SMILES Flexibase

39499427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-5-fluoro-isoindoline (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	6.21	14.28	-5.44	0	1	0	3	349.836	3	↓ MOL2 SDF SMILES Flexibase

39499434

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-2,5-dichloro-isoindoline (1Z)-6-benzyl-1-benzylidene-2,5-…

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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)	6.73	14.52	-5.07	0	1	0	3	366.291	3	↓ MOL2 SDF SMILES Flexibase

39499441

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-5-bromo-2-chloro-isoindoline (1Z)-6-benzyl-1-benzylidene-5-br…

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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)	6.86	14.66	-4.85	0	1	0	3	410.742	3	↓ MOL2 SDF SMILES Flexibase

39499448

Analogs

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Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-5-iodo-isoindoline (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	7.13	15.04	-4.74	0	1	0	3	457.742	3	↓ MOL2 SDF SMILES Flexibase

39499454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-5-ethoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	6.48	14.7	-5.89	0	2	0	12	375.899	5	↓ MOL2 SDF SMILES Flexibase

39499467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-chloro-5-isopropylsulfonyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-ch…

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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)	6.10	13.11	-10.77	0	3	0	37	437.992	5	↓ MOL2 SDF SMILES Flexibase

39499486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-bromo-5-methoxy-isoindoline (1Z)-6-benzyl-1-benzylidene-2-br…

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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)	6.24	13.84	-5.84	0	2	0	12	406.323	4	↓ MOL2 SDF SMILES Flexibase

39499493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-bromo-5-methylsulfanyl-isoindoline (1Z)-6-benzyl-1-benzylidene-2-br…

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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)	6.61	15.1	-5.3	0	1	0	3	422.391	4	↓ MOL2 SDF SMILES Flexibase

39499500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-bromo-isoindolin-5-ol (1Z)-6-benzyl-1-benzylidene-2-br…

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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)	6.17	11.85	-5.56	1	2	0	23	392.296	3	↓ MOL2 SDF SMILES Flexibase

39499507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-bromo-5-fluoro-isoindoline (1Z)-6-benzyl-1-benzylidene-2-br…

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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)	6.34	14.36	-4.9	0	1	0	3	394.287	3	↓ MOL2 SDF SMILES Flexibase

39499514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-bromo-5-chloro-isoindoline (1Z)-6-benzyl-1-benzylidene-2-br…

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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)	6.86	14.6	-4.57	0	1	0	3	410.742	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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