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Analogs

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Popular Name: 1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone 1-(2,3,4,5-tetrahydro-1,4-benzod…

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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) -0.12 7.23 -51.34 2 6 1 68 258.305 2 ↓
Hi High (pH 8-9.5) -0.12 5.97 -14.58 1 6 0 63 257.297 2 ↓

Analogs

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Popular Name: (2S)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (2S)-1-(2,3,4,5-tetrahydro-1,4-b…

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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) 0.24 7.14 -54.93 2 6 1 68 272.332 2 ↓
Hi High (pH 8-9.5) 0.24 5.89 -11.94 1 6 0 63 271.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (2R)-1-(2,3,4,5-tetrahydro-1,4-b…

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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) 0.24 7.28 -62.32 2 6 1 68 272.332 2 ↓
Hi High (pH 8-9.5) 0.24 6 -14.52 1 6 0 63 271.324 2 ↓

Parameters Provided:

ring.id = 280588
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 = 280588 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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