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Analogs

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Popular Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[[2-(trifluoromethyl)phenyl]methyleneamino]acetamide 2-[(3,5-dioxo-2H-1,2,4-triazin-6…

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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) 0.69 1.33 -20.41 4 9 0 132 356.264 6 ↓

Analogs

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Popular Name: 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-ethoxy-3-methoxy-benzylidene)amino]acetamide 2-[(3,5-diketo-2H-1,2,4-triazin-…

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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) -0.13 -6.45 -18.97 4 11 0 150 362.346 8 ↓

Analogs

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Popular Name: 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(2-hydroxy-3-methoxy-benzylidene)amino]acetamide 2-[(3,5-diketo-2H-1,2,4-triazin-…

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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) -0.61 -2.68 -20.17 5 11 0 162 334.292 6 ↓
Hi High (pH 8-9.5) -0.16 -3.41 -104.36 3 11 -2 167 332.276 6 ↓
Mid Mid (pH 6-8) -0.16 -4.34 -48.71 4 11 -1 165 333.284 6 ↓

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyleneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide N-[(2,5-dimethoxyphenyl)methylen…

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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) -0.11 -6.51 -17.45 4 11 0 150 348.319 7 ↓

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyleneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide N-[(2,4-dimethoxyphenyl)methylen…

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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) -0.11 -6.49 -19.23 4 11 0 150 348.319 7 ↓

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyleneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide N-[(2,3-dimethoxyphenyl)methylen…

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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) -0.34 -6.12 -20.35 4 11 0 150 348.319 7 ↓

Parameters Provided:

ring.id = 221670
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 = 221670 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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