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Analogs

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Popular Name: [(1R)-cyclohex-3-en-1-yl]-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone [(1R)-cyclohex-3-en-1-yl]-(2,3,4…

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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) 2.53 7.47 -44.35 2 3 1 37 257.357 1 ↓
Hi High (pH 8-9.5) 2.53 6.21 -6.28 1 3 0 32 256.349 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-cyclohex-3-en-1-yl]-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone [(1S)-cyclohex-3-en-1-yl]-(2,3,4…

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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) 2.53 7.78 -52.38 2 3 1 37 257.357 1 ↓
Hi High (pH 8-9.5) 2.53 6.52 -9.63 1 3 0 32 256.349 1 ↓

Analogs

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Popular Name: [(1R)-cyclohex-3-en-1-yl]-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone [(1R)-cyclohex-3-en-1-yl]-(4-met…

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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) 2.78 9.92 -46.27 1 3 1 25 271.384 1 ↓
Mid Mid (pH 6-8) 2.78 7.73 -8.96 0 3 0 24 270.376 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-cyclohex-3-en-1-yl]-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone [(1S)-cyclohex-3-en-1-yl]-(4-met…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 9.98 -46.7 1 3 1 25 271.384 1 ↓
Mid Mid (pH 6-8) 2.78 7.79 -9.14 0 3 0 24 270.376 1 ↓

Parameters Provided:

ring.id = 280523
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 = 280523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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