ZINC 12

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ZINC Item

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39499072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2,6-dimethoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2,6-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.05	10.05	-8.38	1	4	0	42	359.425	4	↓ MOL2 SDF SMILES Flexibase

39499078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-2-methoxy-6-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-methoxy-…

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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)	5.43	11.01	-8.06	1	3	0	33	375.493	4	↓ MOL2 SDF SMILES Flexibase

39499091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-6-(2-hydroxyphenyl)-2-methoxy-isoindolin-5-ol (1E)-1-benzylidene-6-(2-hydroxyp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	7.47	-8	2	4	0	53	345.398	3	↓ MOL2 SDF SMILES Flexibase

39499096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-fluoro-2-methoxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-fluoro-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)	5.16	10.11	-7.83	1	3	0	33	347.389	3	↓ MOL2 SDF SMILES Flexibase

39499103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-chloro-2-methoxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-chloro-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)	5.67	10.53	-6.85	1	3	0	33	363.844	3	↓ MOL2 SDF SMILES Flexibase

39499109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-bromo-2-methoxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-bromo-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)	5.80	10.63	-6.67	1	3	0	33	408.295	3	↓ MOL2 SDF SMILES Flexibase

39499119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-iodo-2-methoxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-iodo-2-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)	6.08	11.07	-6.28	1	3	0	33	455.295	3	↓ MOL2 SDF SMILES Flexibase

39499121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-6-ethoxy-2-methoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-6-ethoxy-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)	5.43	10.98	-8.21	1	4	0	42	373.452	5	↓ MOL2 SDF SMILES Flexibase

39499141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-isopropylsulfonyl-2-methoxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-isopropy…

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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)	5.04	10.02	-12.95	1	5	0	67	435.545	5	↓ MOL2 SDF SMILES Flexibase

39499156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-6-methoxy-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-6-methoxy-…

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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	10.9	-7.4	1	3	0	33	375.493	4	↓ MOL2 SDF SMILES Flexibase

39499164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-6-(2-hydroxyphenyl)-2-methylsulfanyl-isoindolin-5-ol (1E)-1-benzylidene-6-(2-hydroxyp…

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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)	5.32	8.81	-6.81	2	3	0	44	361.466	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.32	8.62	-36.25	3	3	1	45	362.474	3	↓ MOL2 SDF SMILES Flexibase

39499166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2,6-bis(methylsulfanyl)isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2,6-bis(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)	5.97	12.44	-6.67	1	2	0	23	391.561	4	↓ MOL2 SDF SMILES Flexibase

39499182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-fluoro-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-fluoro-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)	5.70	11.44	-6.82	1	2	0	23	363.457	3	↓ MOL2 SDF SMILES Flexibase

39499184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-chloro-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-chloro-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)	6.21	11.88	-5.84	1	2	0	23	379.912	3	↓ MOL2 SDF SMILES Flexibase

39499193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-bromo-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-bromo-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)	6.35	11.95	-5.61	1	2	0	23	424.363	3	↓ MOL2 SDF SMILES Flexibase

39499202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-iodo-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-iodo-2-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)	6.62	12.41	-5.2	1	2	0	23	471.363	3	↓ MOL2 SDF SMILES Flexibase

39499204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-6-ethoxy-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-6-ethoxy-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)	5.97	11.82	-7.3	1	3	0	33	389.52	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.97	12.13	-34.58	2	3	1	34	390.528	5	↓ MOL2 SDF SMILES Flexibase

39499215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-isopropylsulfonyl-2-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-isopropy…

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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	11.35	-12.28	1	4	0	58	451.613	5	↓ MOL2 SDF SMILES Flexibase

39499239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-hydroxy-6-methoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-hydroxy-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	7.65	-10.6	2	4	0	53	345.398	3	↓ MOL2 SDF SMILES Flexibase

39499246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-hydroxy-6-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-hydroxy-…

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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)	5.15	9.2	-9.76	2	3	0	44	361.466	3	↓ MOL2 SDF SMILES Flexibase

39499258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-2-hydroxy-6-(2-hydroxyphenyl)isoindolin-5-ol (1E)-1-benzylidene-2-hydroxy-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)	4.50	4.9	-10.75	3	4	0	64	331.371	2	↓ MOL2 SDF SMILES Flexibase

39499262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-fluoro-2-hydroxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-fluoro-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)	4.88	7.69	-10.1	2	3	0	44	333.362	2	↓ MOL2 SDF SMILES Flexibase

39499270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-chloro-2-hydroxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-chloro-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)	5.40	8.11	-9.07	2	3	0	44	349.817	2	↓ MOL2 SDF SMILES Flexibase

39499274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-bromo-2-hydroxy-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-bromo-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)	5.53	8.2	-8.88	2	3	0	44	394.268	2	↓ MOL2 SDF SMILES Flexibase

39499284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-2-hydroxy-6-iodo-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-hydroxy-…

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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)	5.80	8.65	-8.47	2	3	0	44	441.268	2	↓ MOL2 SDF SMILES Flexibase

39499287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-6-ethoxy-2-hydroxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-6-ethoxy-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)	5.15	8.59	-10.39	2	4	0	53	359.425	4	↓ MOL2 SDF SMILES Flexibase

39499305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-hydroxy-6-isopropylsulfonyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-hydroxy-…

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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)	4.77	8	-15.7	2	5	0	78	421.518	4	↓ MOL2 SDF SMILES Flexibase

39499321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-fluoro-6-methoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-fluoro-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)	5.16	9.74	-9.11	1	3	0	33	347.389	3	↓ MOL2 SDF SMILES Flexibase

39499332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-fluoro-6-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-fluoro-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)	5.54	11.29	-8.24	1	2	0	23	363.457	3	↓ MOL2 SDF SMILES Flexibase

39499338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-2-fluoro-6-(2-hydroxyphenyl)isoindolin-5-ol (1E)-1-benzylidene-2-fluoro-6-(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)	4.88	7.29	-8.05	2	3	0	44	333.362	2	↓ MOL2 SDF SMILES Flexibase

39499346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-2,6-difluoro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2,6-difluo…

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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)	5.27	10.08	-7.4	1	2	0	23	335.353	2	↓ MOL2 SDF SMILES Flexibase

39499353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-chloro-2-fluoro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-chloro-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)	5.78	10.5	-6.43	1	2	0	23	351.808	2	↓ MOL2 SDF SMILES Flexibase

39499358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-6-bromo-2-fluoro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-bromo-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)	5.91	10.59	-6.28	1	2	0	23	396.259	2	↓ MOL2 SDF SMILES Flexibase

39499365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-2-fluoro-6-iodo-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-fluoro-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)	6.19	11.04	-5.89	1	2	0	23	443.259	2	↓ MOL2 SDF SMILES Flexibase

39499373

Analogs

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Popular Name: 2-[(3Z)-3-benzylidene-6-ethoxy-2-fluoro-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-6-ethoxy-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)	5.54	10.67	-8.89	1	3	0	33	361.416	4	↓ MOL2 SDF SMILES Flexibase

39499386

Analogs

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Popular Name: 2-[(3Z)-3-benzylidene-2-fluoro-6-isopropylsulfonyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-fluoro-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)	5.15	10.21	-14.25	1	4	0	58	423.509	4	↓ MOL2 SDF SMILES Flexibase

39499407

Analogs

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Popular Name: 2-[(3Z)-3-benzylidene-2-chloro-6-methoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-chloro-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)	5.67	10.17	-7.76	1	3	0	33	363.844	3	↓ MOL2 SDF SMILES Flexibase

39499415

Analogs

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Popular Name: 2-[(3Z)-3-benzylidene-2-chloro-6-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-chloro-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)	6.05	11.72	-6.91	1	2	0	23	379.912	3	↓ MOL2 SDF SMILES Flexibase

39499422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-2-chloro-6-(2-hydroxyphenyl)isoindolin-5-ol (1E)-1-benzylidene-2-chloro-6-(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)	5.40	7.91	-7.3	2	3	0	44	349.817	2	↓ MOL2 SDF SMILES Flexibase

39499428

Analogs

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Popular Name: 2-[(3E)-3-benzylidene-2-chloro-6-fluoro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-chloro-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)	5.78	10.7	-6.62	1	2	0	23	351.808	2	↓ MOL2 SDF SMILES Flexibase

39499435

Analogs

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Popular Name: 2-[(3E)-3-benzylidene-2,6-dichloro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2,6-dichlo…

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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)	6.29	11.13	-5.62	1	2	0	23	368.263	2	↓ MOL2 SDF SMILES Flexibase

39499442

Analogs

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Popular Name: 2-[(3E)-3-benzylidene-6-bromo-2-chloro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-6-bromo-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)	6.43	11.21	-5.47	1	2	0	23	412.714	2	↓ MOL2 SDF SMILES Flexibase

39499449

Analogs

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Popular Name: 2-[(3E)-3-benzylidene-2-chloro-6-iodo-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-chloro-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)	6.70	11.67	-5.08	1	2	0	23	459.714	2	↓ MOL2 SDF SMILES Flexibase

39499455

Analogs

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Popular Name: 2-[(3Z)-3-benzylidene-2-chloro-6-ethoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-chloro-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)	6.05	11.1	-7.61	1	3	0	33	377.871	4	↓ MOL2 SDF SMILES Flexibase

39499468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-chloro-6-isopropylsulfonyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-chloro-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)	5.66	10.7	-12.71	1	4	0	58	439.964	4	↓ MOL2 SDF SMILES Flexibase

39499487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-bromo-6-methoxy-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-bromo-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)	5.80	10.25	-7.41	1	3	0	33	408.295	3	↓ MOL2 SDF SMILES Flexibase

39499494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3Z)-3-benzylidene-2-bromo-6-methylsulfanyl-isoindolin-5-yl]phenol 2-[(3Z)-3-benzylidene-2-bromo-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)	6.18	11.8	-6.62	1	2	0	23	424.363	3	↓ MOL2 SDF SMILES Flexibase

39499501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-2-bromo-6-(2-hydroxyphenyl)isoindolin-5-ol (1E)-1-benzylidene-2-bromo-6-(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)	5.53	8.01	-7.18	2	3	0	44	394.268	2	↓ MOL2 SDF SMILES Flexibase

39499509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-2-bromo-6-fluoro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-bromo-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)	5.91	10.79	-6.58	1	2	0	23	396.259	2	↓ MOL2 SDF SMILES Flexibase

39499515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-3-benzylidene-2-bromo-6-chloro-isoindolin-5-yl]phenol 2-[(3E)-3-benzylidene-2-bromo-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)	6.43	11.22	-5.58	1	2	0	23	412.714	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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