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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclopropylethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-cyclopropylethyl]-2,3,…

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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) 2.61 7.26 -39.23 2 2 1 20 217.336 2 ↓
Hi High (pH 8-9.5) 2.61 6.01 -2.54 1 2 0 15 216.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclopropylethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-cyclopropylethyl]-2,3,…

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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) 2.61 7.44 -38.38 2 2 1 20 217.336 2 ↓
Hi High (pH 8-9.5) 2.61 6.17 -2.71 1 2 0 15 216.328 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(cyclopropylmethyl)-2,3,4,5-te…

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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) 2.28 7.09 -38.69 2 2 1 20 203.309 2 ↓
Hi High (pH 8-9.5) 2.28 5.82 -2.78 1 2 0 15 202.301 2 ↓

Parameters Provided:

ring.id = 280322
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 = 280322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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