UCSF
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Analogs

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Popular Name: 6-(2-pyrazol-1-ylethylamino)-2H-1,2,4-triazine-3,5-dione 6-(2-pyrazol-1-ylethylamino)-2H-…

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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) -1.16 -0.97 -10.59 3 8 0 108 222.208 4 ↓
Mid Mid (pH 6-8) -0.70 -2.63 -41.37 2 8 -1 112 221.2 4 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-(2-pyrazol-1-ylethylamino)-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-(2-pyrazol-1-ylet…

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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) -1.02 2.77 -10.83 1 8 0 87 250.262 4 ↓

Analogs

42253646
42253646

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

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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) -0.83 0.2 -10.86 3 8 0 108 236.235 4 ↓
Mid Mid (pH 6-8) -0.37 -1.46 -45.03 2 8 -1 112 235.227 4 ↓

Analogs

42253641
42253641

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

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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) -0.83 -0.16 -10.84 3 8 0 108 236.235 4 ↓
Mid Mid (pH 6-8) -0.37 -1.83 -43.6 2 8 -1 112 235.227 4 ↓

Parameters Provided:

ring.id = 564679
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 = 564679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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