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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: N2-benzyl-N4-[(2,6-dichloro-3-nitro-phenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triam N2-benzyl-N4-[(2,6-dichloro-3-ni…

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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) 5.04 -1.01 -10.79 2 10 0 124 461.313 8 ↓

Analogs

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Popular Name: N2-benzyl-N4-[(3-bromo-4-methoxy-phenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triamine N2-benzyl-N4-[(3-bromo-4-methoxy…

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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) 4.67 -2.01 -10.76 2 8 0 87 456.348 8 ↓

Analogs

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Popular Name: 4-bromo-3-nitrobenzaldehyde [4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazone 4-bromo-3-nitrobenzaldehyde [4-(…

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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) 4.57 -1.56 -12.16 2 10 0 124 471.319 8 ↓

Analogs

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Popular Name: N2-benzyl-N4-[(4-chloro-3-nitro-phenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triamine N2-benzyl-N4-[(4-chloro-3-nitro-…

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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) 4.44 -1 -12.39 2 10 0 124 426.868 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[(3-bromophenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triamine N2-benzyl-N4-[(3-bromophenyl)met…

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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) 4.66 16.16 -9.33 2 7 0 78 426.322 7 ↓
Lo Low (pH 4.5-6) 4.66 16.43 -28.88 3 7 1 80 427.33 7 ↓
Lo Low (pH 4.5-6) 4.66 16.45 -30.72 3 7 1 80 427.33 7 ↓

Parameters Provided:

ring.id = 4703
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 = 4703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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