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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: 5-[(N'E)-N'-[(2,4-dihydroxy-5-nitro-phenyl)methylene]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(2,4-dihydroxy-5-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) 0.56 -0.98 -22.11 4 11 0 169 306.238 4 ↓
Mid Mid (pH 6-8) 0.56 -0.2 -53.24 3 11 -1 172 305.23 4 ↓
Mid Mid (pH 6-8) 0.56 0.02 -56.46 3 11 -1 172 305.23 4 ↓

Analogs

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Popular Name: 5-[(N'E)-N'-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(3-ethoxy-4-hydroxy…

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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) 0.81 2.18 -30.74 3 11 0 158 334.292 6 ↓

Analogs

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Popular Name: 5-[(N'E)-N'-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hydrazino]-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(4-hydroxy-3-methox…

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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) -0.20 0.59 -31.85 3 11 0 158 306.238 5 ↓

Analogs

3947302
3947302
4422731
4422731

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Popular Name: 5-[(N'Z)-N'-[(3-methoxy-4-pentoxy-phenyl)methylene]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(N'Z)-N'-[(3-methoxy-4-pentox…

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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) 2.57 5.34 -19.22 2 8 0 102 345.403 9 ↓

Analogs

4368055
4368055

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Popular Name: 5-[(N'E)-N'-[(4-isopropoxy-3-methoxy-phenyl)methylene]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one 5-[(N'E)-N'-[(4-isopropoxy-3-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) 1.36 3.49 -21.5 2 8 0 102 317.349 6 ↓

Parameters Provided:

ring.id = 44899
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 = 44899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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