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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[2-(2-thienylmethylamino)ethyl]-1,2,3-benzotriazin-4-one 3-[2-(2-thienylmethylamino)ethyl…

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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) 1.99 5.54 -42.75 2 5 1 64 287.368 5 ↓
Hi High (pH 8-9.5) 1.99 4.19 -9.38 1 5 0 60 286.36 5 ↓

Analogs

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Popular Name: 3-[2-[(3-methyl-2-thienyl)methylamino]ethyl]-1,2,3-benzotriazin-4-one 3-[2-[(3-methyl-2-thienyl)methyl…

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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) 2.37 6.12 -42.5 2 5 1 64 301.395 5 ↓
Hi High (pH 8-9.5) 2.37 4.75 -9 1 5 0 60 300.387 5 ↓

Analogs

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Popular Name: 3-[2-[(5-chloro-2-thienyl)methylamino]ethyl]-1,2,3-benzotriazin-4-one 3-[2-[(5-chloro-2-thienyl)methyl…

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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) 2.80 6.16 -46.71 2 5 1 64 321.813 5 ↓
Hi High (pH 8-9.5) 2.80 4.81 -8.73 1 5 0 60 320.805 5 ↓

Analogs

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Popular Name: 3-[2-[(5-methyl-2-thienyl)methylamino]ethyl]-1,2,3-benzotriazin-4-one 3-[2-[(5-methyl-2-thienyl)methyl…

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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) 2.22 6.37 -42.64 2 5 1 64 301.395 5 ↓
Hi High (pH 8-9.5) 2.22 5.02 -9.22 1 5 0 60 300.387 5 ↓

Analogs

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Popular Name: 3-[2-[(4-bromo-2-thienyl)methylamino]ethyl]-1,2,3-benzotriazin-4-one 3-[2-[(4-bromo-2-thienyl)methyla…

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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) 2.73 6.15 -45.88 2 5 1 64 366.264 5 ↓
Hi High (pH 8-9.5) 2.73 4.8 -9.39 1 5 0 60 365.256 5 ↓

Analogs

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Popular Name: 3-[2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]-1,2,3-benzotriazin-4-one 3-[2-[[(1S)-1-(2-thienyl)ethyl]a…

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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) 2.55 6.06 -39.63 2 5 1 64 301.395 5 ↓
Hi High (pH 8-9.5) 2.55 4.85 -8.76 1 5 0 60 300.387 5 ↓

Analogs

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Popular Name: 3-[2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]-1,2,3-benzotriazin-4-one 3-[2-[[(1R)-1-(2-thienyl)ethyl]a…

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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) 2.55 6.06 -39.87 2 5 1 64 301.395 5 ↓
Hi High (pH 8-9.5) 2.55 4.87 -8.78 1 5 0 60 300.387 5 ↓

Parameters Provided:

ring.id = 74597
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 = 74597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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