ZINC 12

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ZINC Item

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48629187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(R)-hydroxy-[(3R)-tetrahydrof…

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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)	0.76	1.4	-8.73	2	4	0	59	233.267	2	↓ MOL2 SDF SMILES Flexibase

48629189

Analogs

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Popular Name: 5-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(S)-hydroxy-[(3R)-tetrahydrof…

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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)	0.76	1.18	-9.19	2	4	0	59	233.267	2	↓ MOL2 SDF SMILES Flexibase

48629191

Analogs

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Popular Name: 5-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(R)-hydroxy-[(3S)-tetrahydrof…

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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)	0.76	1.26	-9.36	2	4	0	59	233.267	2	↓ MOL2 SDF SMILES Flexibase

48629192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(S)-hydroxy-[(3S)-tetrahydrof…

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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)	0.76	1.49	-8.94	2	4	0	59	233.267	2	↓ MOL2 SDF SMILES Flexibase

48629221

Analogs

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Popular Name: 5-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(R)-hydroxy-[(3R)-tetrahydrof…

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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)	1.00	3.41	-9.11	1	4	0	50	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(S)-hydroxy-[(3R)-tetrahydrof…

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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)	1.00	3.18	-9.56	1	4	0	50	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(R)-hydroxy-[(3S)-tetrahydrof…

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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)	1.00	3.27	-9.76	1	4	0	50	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(S)-hydroxy-[(3S)-tetrahydrof…

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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)	1.00	3.5	-9.31	1	4	0	50	247.294	2	↓ MOL2 SDF SMILES Flexibase

48629407

Analogs

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Popular Name: 6-chloro-5-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(R)-hydroxy-[(3R)-te…

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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)	1.37	1.91	-7.97	2	4	0	59	267.712	2	↓ MOL2 SDF SMILES Flexibase

48629409

Analogs

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Popular Name: 6-chloro-5-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(S)-hydroxy-[(3R)-te…

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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)	1.37	1.42	-9.88	2	4	0	59	267.712	2	↓ MOL2 SDF SMILES Flexibase

48629410

Analogs

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Popular Name: 6-chloro-5-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(R)-hydroxy-[(3S)-te…

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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)	1.37	1.51	-9.76	2	4	0	59	267.712	2	↓ MOL2 SDF SMILES Flexibase

48629412

Analogs

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Popular Name: 6-chloro-5-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(S)-hydroxy-[(3S)-te…

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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)	1.37	2.03	-8.23	2	4	0	59	267.712	2	↓ MOL2 SDF SMILES Flexibase

48629797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(R)-chloro-[(3R)-tetrahydrofu…

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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)	2.13	4.59	-8.9	1	3	0	38	251.713	2	↓ MOL2 SDF SMILES Flexibase

48629798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(S)-chloro-[(3R)-tetrahydrofu…

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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)	2.13	4.58	-8.61	1	3	0	38	251.713	2	↓ MOL2 SDF SMILES Flexibase

48629799

Analogs

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Popular Name: 5-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(R)-chloro-[(3S)-tetrahydrofu…

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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)	2.13	4.54	-8.57	1	3	0	38	251.713	2	↓ MOL2 SDF SMILES Flexibase

48629800

Analogs

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Popular Name: 5-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(S)-chloro-[(3S)-tetrahydrofu…

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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)	2.13	4.59	-8.87	1	3	0	38	251.713	2	↓ MOL2 SDF SMILES Flexibase

48629813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(R)-chloro-[(3R)-tetrahydrofu…

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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)	2.38	6.6	-9.17	0	3	0	30	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(S)-chloro-[(3R)-tetrahydrofu…

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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)	2.38	6.58	-9.01	0	3	0	30	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(R)-chloro-[(3S)-tetrahydrofu…

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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)	2.38	6.54	-8.86	0	3	0	30	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(S)-chloro-[(3S)-tetrahydrofu…

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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)	2.38	6.58	-9.3	0	3	0	30	265.74	2	↓ MOL2 SDF SMILES Flexibase

48629919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(R)-chloro-[(3R)-tet…

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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)	2.74	5.02	-6.82	1	3	0	38	286.158	2	↓ MOL2 SDF SMILES Flexibase

48629920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(S)-chloro-[(3R)-tet…

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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)	2.74	5.02	-6.85	1	3	0	38	286.158	2	↓ MOL2 SDF SMILES Flexibase

48629921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(R)-chloro-[(3S)-tet…

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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)	2.74	5.14	-6.91	1	3	0	38	286.158	2	↓ MOL2 SDF SMILES Flexibase

48629922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 6-chloro-5-[(S)-chloro-[(3S)-tet…

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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)	2.74	5.06	-6.85	1	3	0	38	286.158	2	↓ MOL2 SDF SMILES Flexibase

48630168

Analogs

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Popular Name: 5-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(R)-bromo-[(3R)-tetrahydrofur…

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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)	2.27	4.65	-8.71	1	3	0	38	296.164	2	↓ MOL2 SDF SMILES Flexibase

48630169

Analogs

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Popular Name: 5-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(S)-bromo-[(3R)-tetrahydrofur…

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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)	2.27	4.65	-8.36	1	3	0	38	296.164	2	↓ MOL2 SDF SMILES Flexibase

48630170

Analogs

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Popular Name: 5-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(R)-bromo-[(3S)-tetrahydrofur…

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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)	2.27	4.59	-8.32	1	3	0	38	296.164	2	↓ MOL2 SDF SMILES Flexibase

48630171

Analogs

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Popular Name: 5-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]indolin-2-one 5-[(S)-bromo-[(3S)-tetrahydrofur…

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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)	2.27	4.67	-8.63	1	3	0	38	296.164	2	↓ MOL2 SDF SMILES Flexibase

48630184

Analogs

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Popular Name: 5-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(R)-bromo-[(3R)-tetrahydrofur…

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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)	2.51	6.66	-9.16	0	3	0	30	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630185

Analogs

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Popular Name: 5-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(S)-bromo-[(3R)-tetrahydrofur…

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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)	2.51	6.65	-8.67	0	3	0	30	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630186

Analogs

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Popular Name: 5-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(R)-bromo-[(3S)-tetrahydrofur…

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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)	2.51	6.59	-8.59	0	3	0	30	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630187

Analogs

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Popular Name: 5-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1-methyl-indolin-2-one 5-[(S)-bromo-[(3S)-tetrahydrofur…

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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)	2.51	6.66	-8.77	0	3	0	30	310.191	2	↓ MOL2 SDF SMILES Flexibase

48630288

Analogs

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Popular Name: 5-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-6-chloro-indolin-2-one 5-[(R)-bromo-[(3R)-tetrahydrofur…

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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)	2.87	5.08	-6.64	1	3	0	38	330.609	2	↓ MOL2 SDF SMILES Flexibase

48630289

Analogs

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Popular Name: 5-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-6-chloro-indolin-2-one 5-[(S)-bromo-[(3R)-tetrahydrofur…

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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)	2.87	5.1	-6.66	1	3	0	38	330.609	2	↓ MOL2 SDF SMILES Flexibase

48630290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-6-chloro-indolin-2-one 5-[(R)-bromo-[(3S)-tetrahydrofur…

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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)	2.87	5.19	-6.75	1	3	0	38	330.609	2	↓ MOL2 SDF SMILES Flexibase

48630291

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Popular Name: 5-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-6-chloro-indolin-2-one 5-[(S)-bromo-[(3S)-tetrahydrofur…

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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)	2.87	5.13	-6.72	1	3	0	38	330.609	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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//zinc12.docking.org/results/combination?ring.id=20726&filter.purchasability=annotated

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "20726"        

    });
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