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Popular Name: 2,4-dimethyl-6-(3-thienylmethylamino)-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-(3-thienylmethyla…

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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 3.69 -6.76 1 6 0 69 252.299 3 ↓

Analogs

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

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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) -0.24 -0.04 -6.42 3 6 0 91 224.245 3 ↓
Mid Mid (pH 6-8) 0.21 -1.71 -36.3 2 6 -1 94 223.237 3 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[[(1S)-1-(3-thienyl)ethyl]amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[[(1S)-1-(3-thien…

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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) 0.45 4.54 -6.73 1 6 0 69 266.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-[[(1R)-1-(3-thienyl)ethyl]amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[[(1R)-1-(3-thien…

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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) 0.45 4.54 -6.74 1 6 0 69 266.326 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(3-thienyl)ethyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S)-1-(3-thienyl)ethyl]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) 0.32 0.81 -6.37 3 6 0 91 238.272 3 ↓
Mid Mid (pH 6-8) 0.77 -0.86 -36.57 2 6 -1 94 237.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(3-thienyl)ethyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1R)-1-(3-thienyl)ethyl]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) 0.32 0.82 -6.37 3 6 0 91 238.272 3 ↓
Mid Mid (pH 6-8) 0.77 -0.85 -36.62 2 6 -1 94 237.264 3 ↓

Analogs

42249786
42249786

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Popular Name: 6-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1R)-1-(2,5-dimethyl-3-thien…

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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) 0.76 2.39 -6.68 3 6 0 91 266.326 3 ↓
Mid Mid (pH 6-8) 1.22 0.71 -37.06 2 6 -1 94 265.318 3 ↓

Analogs

42249781
42249781

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Popular Name: 6-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S)-1-(2,5-dimethyl-3-thien…

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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) 0.76 2.4 -6.67 3 6 0 91 266.326 3 ↓
Mid Mid (pH 6-8) 1.22 0.73 -37.14 2 6 -1 94 265.318 3 ↓

Parameters Provided:

ring.id = 179380
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 = 179380 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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