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Analogs

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Popular Name: 3-bromo-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-bromo-1-oxido-2H-1,2,3-benzotr…

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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) 2.16 4.18 -23.03 1 4 0 46 228.049 0 ↓

Analogs

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Popular Name: 3,5-dichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,5-dichloro-1-oxido-2H-1,2,3-be…

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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) 2.66 4.49 -15.15 1 4 0 46 218.043 0 ↓

Analogs

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Popular Name: 3-chloro-1-oxido-7-(trifluoromethyl)-2H-1,2,3-benzotriazin-1-ium 3-chloro-1-oxido-7-(trifluoromet…

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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) 2.90 5.03 -23.29 1 4 0 46 251.595 1 ↓

Analogs

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Popular Name: 7-bromo-3-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 7-bromo-3-chloro-1-oxido-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) 2.82 4.67 -22.82 1 4 0 46 262.494 0 ↓

Analogs

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Popular Name: 3,6-dichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,6-dichloro-1-oxido-2H-1,2,3-be…

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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) 2.68 4.56 -19.42 1 4 0 46 218.043 0 ↓

Analogs

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Popular Name: 3,8-dichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,8-dichloro-1-oxido-2H-1,2,3-be…

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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) 2.66 4.61 -23.15 1 4 0 46 218.043 0 ↓

Analogs

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Popular Name: 3,5,7-trichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,5,7-trichloro-1-oxido-2H-1,2,3…

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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) 3.29 4.99 -13.54 1 4 0 46 252.488 0 ↓

Analogs

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Popular Name: 3,7-dichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,7-dichloro-1-oxido-2H-1,2,3-be…

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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) 2.68 4.56 -23.56 1 4 0 46 218.043 0 ↓

Analogs

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Popular Name: 3,5,8-trichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,5,8-trichloro-1-oxido-2H-1,2,3…

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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) 3.29 5.04 -14.7 1 4 0 46 252.488 0 ↓

Analogs

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Popular Name: 3-chloro-7-methylsulfonyl-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-chloro-7-methylsulfonyl-1-oxid…

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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) 0.88 1.59 -29.59 1 6 0 80 261.69 1 ↓

Analogs

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Popular Name: 7-chloro-3-hydroxy-1-oxido-2H-1,2,3-benzotriazin-1-ium 7-chloro-3-hydroxy-1-oxido-2H-1,…

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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) 1.79 1.63 -25.89 2 5 0 66 199.597 0 ↓

Analogs

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Popular Name: 3-chloro-1-oxido-7-phenoxy-2H-1,2,3-benzotriazin-1-ium 3-chloro-1-oxido-7-phenoxy-2H-1,…

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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) 3.76 6.98 -26.17 1 5 0 55 275.695 2 ↓

Analogs

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Popular Name: 3-chloro-7-methyl-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-chloro-7-methyl-1-oxido-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) 2.46 4.72 -23.6 1 4 0 46 197.625 0 ↓

Analogs

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Popular Name: 3-chloro-7-nitro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-chloro-7-nitro-1-oxido-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) 1.97 4.3 -23.13 1 7 0 92 228.595 1 ↓

Analogs

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Popular Name: 3-chloro-7-methoxy-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-chloro-7-methoxy-1-oxido-2H-1,…

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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) 2.06 3.36 -29.33 1 5 0 55 213.624 1 ↓

Analogs

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Popular Name: 3-hydroxy-7-nitro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-hydroxy-7-nitro-1-oxido-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) 1.07 1.42 -25.06 2 8 0 112 210.149 1 ↓

Analogs

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Popular Name: 3,6,7-trichloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3,6,7-trichloro-1-oxido-2H-1,2,3…

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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) 3.29 5 -20.61 1 4 0 46 252.488 0 ↓

Analogs

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Popular Name: 3-bromo-7-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 3-bromo-7-chloro-1-oxido-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) 2.82 4.68 -23.41 1 4 0 46 262.494 0 ↓

Analogs

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Popular Name: 5,7-dibromo-3-chloro-1-oxido-2H-1,2,3-benzotriazin-1-ium 5,7-dibromo-3-chloro-1-oxido-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) 3.55 5.2 -12.28 1 4 0 46 341.39 0 ↓

Parameters Provided:

ring.id = 197051
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 = 197051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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