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Analogs

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Popular Name: 6-[(5-chloro-2-thienyl)methylamino]-2H-1,2,4-triazine-3,5-dione 6-[(5-chloro-2-thienyl)methylami…

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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) 0.87 0.79 -6.63 3 6 0 91 258.69 3 ↓
Mid Mid (pH 6-8) 1.33 -0.87 -34.36 2 6 -1 94 257.682 3 ↓

Analogs

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Popular Name: 6-[(4-bromo-2-thienyl)methylamino]-2H-1,2,4-triazine-3,5-dione 6-[(4-bromo-2-thienyl)methylamin…

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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) 0.80 0.78 -6.56 3 6 0 91 303.141 3 ↓
Mid Mid (pH 6-8) 1.26 -0.89 -34.97 2 6 -1 94 302.133 3 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[[(1S)-1-(2-thienyl)propyl]amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[[(1S)-1-(2-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) 1.26 5.23 -6.46 1 6 0 69 280.353 4 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[[(1R)-1-(2-thienyl)propyl]amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[[(1R)-1-(2-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) 1.26 5.23 -6.43 1 6 0 69 280.353 4 ↓

Analogs

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

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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) 1.13 1.51 -6.12 3 6 0 91 252.299 4 ↓
Mid Mid (pH 6-8) 1.59 -0.15 -36.42 2 6 -1 94 251.291 4 ↓

Analogs

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

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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) 1.13 1.51 -6.09 3 6 0 91 252.299 4 ↓
Mid Mid (pH 6-8) 1.59 -0.15 -36.39 2 6 -1 94 251.291 4 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[[(1S)-1-(2-thienyl)butyl]amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[[(1S)-1-(2-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) 1.82 6.32 -6.76 1 6 0 69 294.38 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-6-[[(1R)-1-(2-thienyl)butyl]amino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[[(1R)-1-(2-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) 1.82 6.32 -6.85 1 6 0 69 294.38 5 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(2-thienyl)butyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S)-1-(2-thienyl)butyl]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) 1.69 2.6 -6.41 3 6 0 91 266.326 5 ↓
Hi High (pH 8-9.5) 2.15 0.6 -36.64 2 6 -1 94 265.318 5 ↓

Analogs

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Popular Name: 6-[[(1R)-1-(2-thienyl)butyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1R)-1-(2-thienyl)butyl]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) 1.69 2.6 -6.45 3 6 0 91 266.326 5 ↓
Hi High (pH 8-9.5) 2.15 0.6 -36.62 2 6 -1 94 265.318 5 ↓

Analogs

42249907
42249907

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

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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) 1.43 1.6 -6.35 3 6 0 91 272.717 3 ↓
Mid Mid (pH 6-8) 1.89 -0.07 -34.52 2 6 -1 94 271.709 3 ↓

Analogs

42249902
42249902

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

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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) 1.43 1.6 -6.33 3 6 0 91 272.717 3 ↓
Mid Mid (pH 6-8) 1.89 -0.07 -34.54 2 6 -1 94 271.709 3 ↓

Parameters Provided:

ring.id = 529165
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 = 529165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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