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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

35503233

Zinc Item 35503233

Analogs

35503236

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-methylamino-(5-methyl-2-furyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-(5-methyl-2-f…

Find On: PubMed — Wikipedia — Google

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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)	2.69	7.17	-46.35	3	4	1	59	285.367	3	↓ MOL2 SDF SMILES Flexibase

35503236

Zinc Item 35503236

Analogs

35503233

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-methylamino-(5-methyl-2-furyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino-(5-methyl-2-f…

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)	2.69	7.04	-45.77	3	4	1	59	285.367	3	↓ MOL2 SDF SMILES Flexibase

35503243

Zinc Item 35503243

Analogs

35503245

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-2-furyl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-2-furyl(methylamino)methy…

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)	2.47	6.22	-46.09	3	4	1	59	271.34	3	↓ MOL2 SDF SMILES Flexibase

35503245

Zinc Item 35503245

Analogs

35503243

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-2-furyl(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-2-furyl(methylamino)methy…

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)	2.47	6.35	-46.61	3	4	1	59	271.34	3	↓ MOL2 SDF SMILES Flexibase

35503264

Zinc Item 35503264

Analogs

35503267

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-methylamino-(3-methyl-2-furyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-(3-methyl-2-f…

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)	2.84	6.94	-46.26	3	4	1	59	285.367	3	↓ MOL2 SDF SMILES Flexibase

35503267

Zinc Item 35503267

Analogs

35503264

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-methylamino-(3-methyl-2-furyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino-(3-methyl-2-f…

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)	2.84	6.8	-45.85	3	4	1	59	285.367	3	↓ MOL2 SDF SMILES Flexibase

35503269

Zinc Item 35503269

Analogs

35503272

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-(5-bromo-2-furyl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-(5-bromo-2-furyl)-(methyl…

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)	3.40	6.95	-48.57	3	4	1	59	350.236	3	↓ MOL2 SDF SMILES Flexibase

35503272

Zinc Item 35503272

Analogs

35503269

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(R)-(5-bromo-2-furyl)-(methylamino)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-(5-bromo-2-furyl)-(methyl…

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)	3.40	7.08	-49.16	3	4	1	59	350.236	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 18531
filter.purchasability = annotated
page.format = targets
page.num = 1
iocnl1 = google_adsense
iosrcn = adwords
iosrct = adnet
iocnl3 = legacy

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 18531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

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