UCSF
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Analogs

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Popular Name: 6-[(1-ethylpyrazol-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[(1-ethylpyrazol-4-yl)amino]-2…

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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) -0.21 3.5 -10 1 8 0 87 250.262 3 ↓

Analogs

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Popular Name: 6-[(1-ethylpyrazol-4-yl)amino]-2H-1,2,4-triazine-3,5-dione 6-[(1-ethylpyrazol-4-yl)amino]-2…

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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 -0.21 -9.86 3 8 0 108 222.208 3 ↓
Mid Mid (pH 6-8) 0.11 -1.86 -40.34 2 8 -1 112 221.2 3 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[(1-methylpyrazol…

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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) -0.58 2.63 -10.23 1 8 0 87 236.235 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1-methylpyrazol-4-yl)amino]-2H-1,2,4-triazine-3,5-dione 6-[(1-methylpyrazol-4-yl)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) -0.72 -1.07 -10.11 3 8 0 108 208.181 2 ↓
Mid Mid (pH 6-8) -0.26 -2.72 -40.26 2 8 -1 112 207.173 2 ↓

Analogs

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Popular Name: 6-[(1-isopropylpyrazol-4-yl)amino]-2H-1,2,4-triazine-3,5-dione 6-[(1-isopropylpyrazol-4-yl)amin…

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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) 0.02 0.31 -9.26 3 8 0 108 236.235 3 ↓
Mid Mid (pH 6-8) 0.48 -1.34 -39.87 2 8 -1 112 235.227 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1-isopropylpyrazol-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[(1-isopropylpyrazol-4-yl)amin…

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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) 0.16 4.01 -9.35 1 8 0 87 264.289 3 ↓

Parameters Provided:

ring.id = 116350
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 = 116350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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