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Popular Name: 7-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 3.02 -8.98 2 4 0 59 261.321 2 ↓

Analogs

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Popular Name: 7-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 2.85 -9.02 2 4 0 59 261.321 2 ↓

Analogs

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Popular Name: 7-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 2.95 -9.29 2 4 0 59 261.321 2 ↓

Analogs

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Popular Name: 7-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.55 3.18 -9.21 2 4 0 59 261.321 2 ↓

Analogs

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Popular Name: 7-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 6.27 -9.5 1 3 0 38 279.767 2 ↓

Analogs

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Popular Name: 7-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 6.26 -8.76 1 3 0 38 279.767 2 ↓

Analogs

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Popular Name: 7-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 6.23 -8.79 1 3 0 38 279.767 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 6.27 -9.24 1 3 0 38 279.767 2 ↓

Analogs

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Popular Name: 7-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.33 -9.14 1 3 0 38 324.218 2 ↓

Analogs

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Popular Name: 7-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.32 -8.46 1 3 0 38 324.218 2 ↓

Analogs

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Popular Name: 7-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.28 -8.59 1 3 0 38 324.218 2 ↓

Analogs

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Popular Name: 7-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 6.34 -8.92 1 3 0 38 324.218 2 ↓

Parameters Provided:

ring.id = 20826
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 = 20826 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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