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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-[[(2,3-dichlorophenyl)methyl-methyl-amino]methyl]-1,3,5-triazine-2,4-diamine 6-[[(2,3-dichlorophenyl)methyl-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) 1.48 6.26 -9.08 4 6 0 94 313.192 4 ↓

Analogs

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Popular Name: 6-[(methyl-(o-tolylmethyl)amino)methyl]-1,3,5-triazine-2,4-diamine 6-[(methyl-(o-tolylmethyl)amino)…

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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) 0.62 8.27 -36.77 5 6 1 95 259.337 4 ↓

Analogs

14238085
14238085

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Popular Name: 6-[(1R)-1-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]ethyl]-N',N'-dimethyl-1,3,5-triazine-2,4-di 6-[(1R)-1-[(2-chloro-6-fluoro-ph…

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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) 2.68 11.33 -28.93 3 6 1 72 339.826 5 ↓

Analogs

14238082
14238082

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Popular Name: 6-[(1S)-1-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]ethyl]-N',N'-dimethyl-1,3,5-triazine-2,4-di 6-[(1S)-1-[(2-chloro-6-fluoro-ph…

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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) 2.68 11.34 -29.62 3 6 1 72 339.826 5 ↓

Analogs

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Popular Name: 6-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4 6-[[(3-methoxy-4-methylsulfanyl-…

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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 8.56 -11.66 2 7 0 80 348.476 7 ↓
Lo Low (pH 4.5-6) 1.79 9 -33.98 3 7 1 82 349.484 7 ↓
Lo Low (pH 4.5-6) 1.79 10.9 -45.41 3 7 1 82 349.484 7 ↓

Parameters Provided:

ring.id = 158704
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 = 158704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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