UCSF
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Analogs

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Popular Name: (2R)-5-(2,6-dichlorophenyl)-2-(methylamino)-1,2-dihydro-1,3,5-triazin-6-one (2R)-5-(2,6-dichlorophenyl)-2-(m…

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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) 2.41 3.68 -8.2 2 5 0 57 273.123 2 ↓
Mid Mid (pH 6-8) 2.41 5.22 -39.18 3 5 1 61 274.131 2 ↓

Analogs

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Popular Name: (2S)-5-(2,6-dichlorophenyl)-2-(methylamino)-1,2-dihydro-1,3,5-triazin-6-one (2S)-5-(2,6-dichlorophenyl)-2-(m…

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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) 2.41 3.75 -9.27 2 5 0 57 273.123 2 ↓
Mid Mid (pH 6-8) 2.41 5.29 -39.27 3 5 1 61 274.131 2 ↓

Analogs

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Popular Name: (2R)-2-(ethylamino)-5-(o-tolyl)-1,2-dihydro-1,3,5-triazin-6-one (2R)-2-(ethylamino)-5-(o-tolyl)-…

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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) 1.93 3.93 -7.02 2 5 0 57 232.287 3 ↓
Mid Mid (pH 6-8) 1.93 5.38 -39.1 3 5 1 61 233.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(ethylamino)-5-(o-tolyl)-1,2-dihydro-1,3,5-triazin-6-one (2S)-2-(ethylamino)-5-(o-tolyl)-…

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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) 1.93 4 -8 2 5 0 57 232.287 3 ↓
Mid Mid (pH 6-8) 1.93 5.46 -38.96 3 5 1 61 233.295 3 ↓

Parameters Provided:

ring.id = 197573
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 = 197573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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