UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35503236
35503236

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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…

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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 (Ų) 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 ↓

Analogs

35503233
35503233

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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…

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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 (Ų) 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 ↓

Analogs

35503245
35503245

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

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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 (Ų) 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 ↓

Analogs

35503243
35503243

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

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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 (Ų) 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 ↓

Analogs

35503267
35503267

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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…

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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 (Ų) 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 ↓

Analogs

35503264
35503264

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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…

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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 (Ų) 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 ↓

Analogs

35503272
35503272

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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…

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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 (Ų) 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 ↓

Analogs

35503269
35503269

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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…

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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 (Ų) 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 ↓

Parameters Provided:

ring.id = 18531
filter.purchasability = annotated
page.format = targets
page.num = 1

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

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