UCSF
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Analogs

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Popular Name: 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]benzoic 3-[(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) 0.79 1.61 -51.68 3 8 -1 131 247.19 3 ↓
Mid Mid (pH 6-8) 1.25 -0.03 -106.74 2 8 -2 134 246.182 3 ↓

Analogs

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Popular Name: 5-chloro-4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-2-methoxy-benzoic 5-chloro-4-[(3,5-dioxo-2H-1,2,4-…

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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) 1.49 2.35 -50.93 3 9 -1 140 311.661 4 ↓
Mid Mid (pH 6-8) 1.94 0.67 -88.92 2 9 -2 143 310.653 4 ↓

Analogs

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Popular Name: 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]benzoic 4-[(2,4-dimethyl-3,5-dioxo-1,2,4…

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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) 0.95 5.31 -49.11 1 8 -1 109 275.244 3 ↓

Analogs

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Popular Name: 6-[3-(2-aminoethoxy)anilino]-2H-1,2,4-triazine-3,5-dione 6-[3-(2-aminoethoxy)anilino]-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) -0.26 -1.25 -48.34 6 8 1 128 264.265 5 ↓
Hi High (pH 8-9.5) 0.20 -3.34 -42.69 4 8 -1 129 262.249 5 ↓
Mid Mid (pH 6-8) 0.20 -2.9 -60.14 5 8 0 131 263.257 5 ↓

Analogs

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Popular Name: 6-[3-(2-aminoethoxy)anilino]-2,4-dimethyl-1,2,4-triazine-3,5-dione 6-[3-(2-aminoethoxy)anilino]-2,4…

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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) -0.12 2.46 -48.94 4 8 1 106 292.319 5 ↓
Hi High (pH 8-9.5) -0.12 2.09 -8.01 3 8 0 104 291.311 5 ↓

Analogs

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Popular Name: 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-3-fluoro-benzoic 4-[(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) 0.91 1.76 -45.32 3 8 -1 131 265.18 3 ↓
Mid Mid (pH 6-8) 1.36 0.1 -84.69 2 8 -2 134 264.172 3 ↓

Analogs

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Popular Name: 4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]-3-fluoro-benzoic 4-[(2,4-dimethyl-3,5-dioxo-1,2,4…

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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) 1.04 5.49 -44.97 1 8 -1 109 293.234 3 ↓

Analogs

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Popular Name: 2,4-diallyl-6-(3-chloro-4-fluoro-anilino)-1,2,4-triazine-3,5-dione 2,4-diallyl-6-(3-chloro-4-fluoro…

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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) 3.10 8.36 -7.34 1 6 0 69 336.754 6 ↓

Analogs

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Popular Name: 6-(3,5-dimethylanilino)-2,4-bis(2-methylallyl)-1,2,4-triazine-3,5-dione 6-(3,5-dimethylanilino)-2,4-bis(…

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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) 4.25 10.33 -5.1 1 6 0 69 340.427 6 ↓

Analogs

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Popular Name: 6-(4-isopropylanilino)-2,4-bis(2-methylallyl)-1,2,4-triazine-3,5-dione 6-(4-isopropylanilino)-2,4-bis(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) 4.93 11.03 -4.64 1 6 0 69 354.454 7 ↓

Parameters Provided:

ring.id = 116267
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 = 116267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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