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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: 6-fluoro-1-methyl-N-phenyl-2H-1,3,5-triazin-4-amine 6-fluoro-1-methyl-N-phenyl-2H-1,…

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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) 1.79 7.75 -29.74 2 4 1 42 207.232 2 ↓
Hi High (pH 8-9.5) 1.79 6.2 -40.37 0 4 -1 42 205.216 2 ↓
Mid Mid (pH 6-8) 1.79 6.89 -5.82 1 4 0 40 206.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-difluoro-1-methyl-N-phenyl-2H-1,3,5-triazin-4-amine (2R)-2,6-difluoro-1-methyl-N-phe…

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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) 2.06 6.8 -17.42 1 4 0 44 224.214 2 ↓
Mid Mid (pH 6-8) 2.06 5.94 -38.16 0 4 -1 42 223.206 2 ↓
Lo Low (pH 4.5-6) 2.06 7.34 -32.4 2 4 1 42 225.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2,6-difluoro-1-methyl-N-phenyl-2H-1,3,5-triazin-4-amine (2S)-2,6-difluoro-1-methyl-N-phe…

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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) 2.06 6.81 -17.45 1 4 0 44 224.214 2 ↓
Mid Mid (pH 6-8) 2.06 5.96 -40.28 0 4 -1 42 223.206 2 ↓
Lo Low (pH 4.5-6) 2.06 7.5 -31.42 2 4 1 42 225.222 2 ↓

Parameters Provided:

ring.id = 197155
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 = 197155 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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