UCSF
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Analogs

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Popular Name: 3-[[benzyl-[(1S)-1-cyclopropylethyl]amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[benzyl-[(1S)-1-cyclopropylet…

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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) 3.23 10.37 -9.1 0 4 0 24 348.541 7 ↓
Mid Mid (pH 6-8) 3.23 12.15 -32.59 1 4 1 26 349.549 7 ↓

Analogs

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Popular Name: 3-[[benzyl-[(1R)-1-cyclopropylethyl]amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[benzyl-[(1R)-1-cyclopropylet…

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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) 3.23 9.96 -7.91 0 4 0 24 348.541 7 ↓
Mid Mid (pH 6-8) 3.23 12.13 -33.97 1 4 1 26 349.549 7 ↓

Analogs

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Popular Name: 3-[[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]methyl]-5-(dimethylamino)-1,3,4-thiadia 3-[[[(1S)-1-cyclopropylethyl]-[(…

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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) 3.29 9.68 -10.3 0 5 0 34 378.567 8 ↓
Mid Mid (pH 6-8) 3.29 11.47 -35.39 1 5 1 35 379.575 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[[(1R)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]methyl]-5-(dimethylamino)-1,3,4-thiadia 3-[[[(1R)-1-cyclopropylethyl]-[(…

Find On: PubMed — Wikipedia — Google

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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) 3.29 9.09 -9.8 0 5 0 34 378.567 8 ↓
Mid Mid (pH 6-8) 3.29 11.21 -36.97 1 5 1 35 379.575 8 ↓

Parameters Provided:

ring.id = 297786
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 = 297786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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