ZINC 12

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ZINC Item

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39498970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-5,6-dibenzyl-1-benzylidene-isoindolin-2-yl]phenol 2-[(1E)-5,6-dibenzyl-1-benzylide…

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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)	8.62	18.57	-8.11	1	2	0	23	479.623	6	↓ MOL2 SDF SMILES Flexibase

39498971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-6-benzyl-3-benzylidene-2-(2-hydroxyphenyl)isoindolin-5-ol (3E)-6-benzyl-3-benzylidene-2-(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)	6.89	12.09	-8.14	2	3	0	44	405.497	4	↓ MOL2 SDF SMILES Flexibase

39498972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-5-benzyl-1-benzylidene-6-methoxy-isoindolin-2-yl]phenol 2-[(1Z)-5-benzyl-1-benzylidene-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)	6.96	13.62	-8.74	1	3	0	33	419.524	5	↓ MOL2 SDF SMILES Flexibase

39498973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-5-benzyl-1-benzylidene-6-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1Z)-5-benzyl-1-benzylidene-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)	7.33	14.88	-8.37	1	2	0	23	435.592	5	↓ MOL2 SDF SMILES Flexibase

39498974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3E)-6-benzyl-3-benzylidene-2-(2-hydroxyphenyl)isoindolin-5-yl]phenol 2-[(3E)-6-benzyl-3-benzylidene-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)	8.36	15.1	-8.67	2	3	0	44	481.595	5	↓ MOL2 SDF SMILES Flexibase

39498975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-5-benzyl-1-benzylidene-6-isopropylsulfonyl-isoindolin-2-yl]phenol 2-[(1Z)-5-benzyl-1-benzylidene-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)	6.95	13.16	-14.47	1	4	0	58	495.644	6	↓ MOL2 SDF SMILES Flexibase

39498976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-1-benzylidene-2-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindolin-5-yl]phenol 2-[(1Z)-1-benzylidene-2-(2-hydro…

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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	9.53	-15.42	2	5	0	78	497.616	5	↓ MOL2 SDF SMILES Flexibase

39498977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-1-benzylidene-5,6-bis(2-hydroxyphenyl)isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5,6-bis(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)	7.99	11.9	-9.26	3	4	0	64	483.567	4	↓ MOL2 SDF SMILES Flexibase

39498978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-1-benzylidene-2-(2-hydroxyphenyl)-6-methylsulfanyl-isoindolin-5-yl]phenol 2-[(1Z)-1-benzylidene-2-(2-hydro…

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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)	6.90	11.57	-9.57	2	3	0	44	437.564	4	↓ MOL2 SDF SMILES Flexibase

39498979

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	6.52	10.51	-9.41	2	4	0	53	421.496	4	↓ MOL2 SDF SMILES Flexibase

39498980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-6-benzyl-1-benzylidene-5-methoxy-isoindolin-2-yl]phenol 2-[(1E)-6-benzyl-1-benzylidene-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)	6.96	14.08	-7.62	1	3	0	33	419.524	5	↓ MOL2 SDF SMILES Flexibase

39498981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-6-benzyl-1-benzylidene-2-(2-hydroxyphenyl)isoindolin-5-yl]phenol 2-[(1Z)-6-benzyl-1-benzylidene-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)	8.36	14.64	-9.31	2	3	0	44	481.595	5	↓ MOL2 SDF SMILES Flexibase

39498982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-1-benzylidene-5,6-dimethoxy-isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5,6-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)	4.66	9.28	-8.9	1	4	0	42	359.425	4	↓ MOL2 SDF SMILES Flexibase

39498983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-1-benzylidene-5-methoxy-6-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5-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	10.39	-8.22	1	3	0	33	375.493	4	↓ MOL2 SDF SMILES Flexibase

39498984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-1-benzylidene-2-(2-hydroxyphenyl)-6-methoxy-isoindolin-5-yl]phenol 2-[(1Z)-1-benzylidene-2-(2-hydro…

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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)	6.52	10.02	-10.3	2	4	0	53	421.496	4	↓ MOL2 SDF SMILES Flexibase

39498985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-3-benzylidene-2,6-bis(2-hydroxyphenyl)isoindolin-5-ol (3E)-3-benzylidene-2,6-bis(2-hyd…

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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)	6.25	8.49	-8.81	3	4	0	64	407.469	3	↓ MOL2 SDF SMILES Flexibase

39498986

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	6.90	12.05	-8.73	2	3	0	44	437.564	4	↓ MOL2 SDF SMILES Flexibase

39498987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl 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)	5.96	10.68	-16.72	1	6	0	76	485.561	6	↓ MOL2 SDF SMILES Flexibase

39498988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-1-benzylidene-6-isopropylsulfonyl-5-methoxy-isoindolin-2-yl]phenol 2-[(1Z)-1-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	8.68	-16.1	1	5	0	67	435.545	5	↓ MOL2 SDF SMILES Flexibase

39498989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-3-benzylidene-2-(2-hydroxyphenyl)-6-methoxy-isoindolin-5-ol (3E)-3-benzylidene-2-(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)	4.35	7.37	-8.94	2	4	0	53	345.398	3	↓ MOL2 SDF SMILES Flexibase

39498990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-1-benzylidene-5,6-bis(methylsulfanyl)isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5,6-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)	5.81	12	-7.83	1	2	0	23	391.561	4	↓ MOL2 SDF SMILES Flexibase

39498991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-6-benzyl-1-benzylidene-5-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1E)-6-benzyl-1-benzylidene-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)	7.33	15.35	-7.13	1	2	0	23	435.592	5	↓ MOL2 SDF SMILES Flexibase

39498992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-3-benzylidene-2-(2-hydroxyphenyl)-6-methylsulfanyl-isoindolin-5-ol (3E)-3-benzylidene-2-(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)	5.15	8.44	-8.23	2	3	0	44	361.466	3	↓ MOL2 SDF SMILES Flexibase

39498993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-1-benzylidene-6-isopropylsulfonyl-5-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1Z)-1-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)	5.42	9.72	-15.76	1	4	0	58	451.613	5	↓ MOL2 SDF SMILES Flexibase

39498994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1Z)-1-benzylidene-6-methoxy-5-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1Z)-1-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)	5.43	10.12	-8.96	1	3	0	33	375.493	4	↓ MOL2 SDF SMILES Flexibase

39498995

Analogs

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Popular Name: phenyl 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)	6.34	12.01	-16.56	1	5	0	67	501.629	6	↓ MOL2 SDF SMILES Flexibase

39498996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-2-(2-hydroxyphenyl)isoindoline-5,6-diol (1E)-1-benzylidene-2-(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)	4.04	5.31	-9.25	3	4	0	64	331.371	2	↓ MOL2 SDF SMILES Flexibase

39498997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-1-benzylidene-2-(2-hydroxyphenyl)-6-isopropylsulfonyl-isoindolin-5-ol (1Z)-1-benzylidene-2-(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)	4.77	6.66	-13.33	2	5	0	78	421.518	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.77	7.39	-47.71	1	5	-1	81	420.51	4	↓ MOL2 SDF SMILES Flexibase

39498998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-1-benzylidene-5-fluoro-6-(2-hydroxyphenyl)isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5-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)	6.63	11.14	-8.6	2	3	0	44	409.46	3	↓ MOL2 SDF SMILES Flexibase

39498999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-3-benzylidene-6-fluoro-2-(2-hydroxyphenyl)isoindolin-5-ol (3E)-3-benzylidene-6-fluoro-2-(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	7.45	-7.14	2	3	0	44	333.362	2	↓ MOL2 SDF SMILES Flexibase

39499001

Analogs

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Popular Name: 2-[(1Z)-6-benzyl-1-benzylidene-5-fluoro-isoindolin-2-yl]phenol 2-[(1Z)-6-benzyl-1-benzylidene-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)	7.06	14.14	-7.22	1	2	0	23	407.488	4	↓ MOL2 SDF SMILES Flexibase

39499003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-6-benzyl-1-benzylidene-2-(2-hydroxyphenyl)isoindolin-5-ol (1Z)-6-benzyl-1-benzylidene-2-(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)	6.89	11.64	-8.16	2	3	0	44	405.497	4	↓ MOL2 SDF SMILES Flexibase

39499005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1E)-1-benzylidene-2,6-bis(2-hydroxyphenyl)isoindolin-5-ol (1E)-1-benzylidene-2,6-bis(2-hyd…

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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)	6.25	8.35	-9.26	3	4	0	64	407.469	3	↓ MOL2 SDF SMILES Flexibase

39499007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1Z)-1-benzylidene-2-(2-hydroxyphenyl)-6-methoxy-isoindolin-5-ol (1Z)-1-benzylidene-2-(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)	4.35	6.91	-9.16	2	4	0	53	345.398	3	↓ MOL2 SDF SMILES Flexibase

39499008

Analogs

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Popular Name: (1Z)-1-benzylidene-2-(2-hydroxyphenyl)-6-methylsulfanyl-isoindolin-5-ol (1Z)-1-benzylidene-2-(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)	5.15	7.96	-8.52	2	3	0	44	361.466	3	↓ MOL2 SDF SMILES Flexibase

39499010

Analogs

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Popular Name: 2-[(1Z)-1-benzylidene-5-fluoro-6-methoxy-isoindolin-2-yl]phenol 2-[(1Z)-1-benzylidene-5-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	9.13	-8.12	1	3	0	33	347.389	3	↓ MOL2 SDF SMILES Flexibase

39499011

Analogs

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Popular Name: phenyl 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)	5.68	9.2	-15.36	2	6	0	87	471.534	5	↓ MOL2 SDF SMILES Flexibase

39499012

Analogs

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Popular Name: 2-[(1E)-1-benzylidene-5-chloro-6-(2-hydroxyphenyl)isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5-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)	7.14	11.58	-7.65	2	3	0	44	425.915	3	↓ MOL2 SDF SMILES Flexibase

39499014

Analogs

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Popular Name: 2-[(1Z)-1-benzylidene-5-fluoro-6-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1Z)-1-benzylidene-5-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	10.81	-7.55	1	2	0	23	363.457	3	↓ MOL2 SDF SMILES Flexibase

39499016

Analogs

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Popular Name: (3E)-3-benzylidene-6-bromo-2-(2-hydroxyphenyl)isoindolin-5-ol (3E)-3-benzylidene-6-bromo-2-(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	8.04	-6.42	2	3	0	44	394.268	2	↓ MOL2 SDF SMILES Flexibase

39499018

Analogs

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Popular Name: 2-[(1Z)-6-benzyl-1-benzylidene-5-chloro-isoindolin-2-yl]phenol 2-[(1Z)-6-benzyl-1-benzylidene-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)	7.58	14.38	-6.9	1	2	0	23	423.943	4	↓ MOL2 SDF SMILES Flexibase

39499019

Analogs

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Popular Name: 2-[(1Z)-1-benzylidene-5-chloro-6-methoxy-isoindolin-2-yl]phenol 2-[(1Z)-1-benzylidene-5-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	9.61	-7.25	1	3	0	33	363.844	3	↓ MOL2 SDF SMILES Flexibase

39499021

Analogs

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Popular Name: (3E)-3-benzylidene-6-chloro-2-(2-hydroxyphenyl)isoindolin-5-ol (3E)-3-benzylidene-6-chloro-2-(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	7.93	-6.57	2	3	0	44	349.817	2	↓ MOL2 SDF SMILES Flexibase

39499023

Analogs

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Popular Name: phenyl 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)	6.07	11.06	-14.19	1	5	0	67	473.525	5	↓ MOL2 SDF SMILES Flexibase

39499024

Analogs

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Popular Name: 2-[(1Z)-6-benzyl-1-benzylidene-5-bromo-isoindolin-2-yl]phenol 2-[(1Z)-6-benzyl-1-benzylidene-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)	7.71	14.51	-6.28	1	2	0	23	468.394	4	↓ MOL2 SDF SMILES Flexibase

39499025

Analogs

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Popular Name: 2-[(1Z)-1-benzylidene-5-fluoro-6-isopropylsulfonyl-isoindolin-2-yl]phenol 2-[(1Z)-1-benzylidene-5-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	8.86	-13.82	1	4	0	58	423.509	4	↓ MOL2 SDF SMILES Flexibase

39499026

Analogs

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Popular Name: phenyl 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)	6.58	11.43	-13.57	1	5	0	67	489.98	5	↓ MOL2 SDF SMILES Flexibase

39499027

Analogs

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Popular Name: 2-[(1Z)-1-benzylidene-5-chloro-6-methylsulfanyl-isoindolin-2-yl]phenol 2-[(1Z)-1-benzylidene-5-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	11.23	-6.89	1	2	0	23	379.912	3	↓ MOL2 SDF SMILES Flexibase

39499028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1E)-1-benzylidene-5-bromo-6-(2-hydroxyphenyl)isoindolin-2-yl]phenol 2-[(1E)-1-benzylidene-5-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)	7.28	11.65	-7.41	2	3	0	44	470.366	3	↓ MOL2 SDF SMILES Flexibase

39499029

Analogs

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Popular Name: 2-[(1Z)-1-benzylidene-5-chloro-6-isopropylsulfonyl-isoindolin-2-yl]phenol 2-[(1Z)-1-benzylidene-5-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	9.28	-12.53	1	4	0	58	439.964	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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