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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-1H-benzotriazole-5-carboxamide N-cyclopropyl-1H-benzotriazole-5…

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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) 0.82 1.66 -13.73 2 5 0 71 202.217 2 ↓
Hi High (pH 8-9.5) 0.82 1.74 -42.43 1 5 -1 69 201.209 2 ↓

Analogs

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Popular Name: N-cyclopropyl-1-ethyl-N-(2-hydroxyethyl)benzotriazole-5-carboxamide N-cyclopropyl-1-ethyl-N-(2-hydro…

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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) 0.41 2.85 -16.15 1 6 0 71 274.324 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-1H-benzotriazole-5-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.04 0.7 -14.65 2 6 0 82 246.27 4 ↓
Hi High (pH 8-9.5) -0.04 0.56 -42.77 1 6 -1 80 245.262 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-1H-benzotriazole-5-carboxamide N-cyclopropyl-N-methyl-1H-benzot…

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Activity (Go SEA)

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) 0.60 3.01 -13.93 1 5 0 62 216.244 2 ↓
Hi High (pH 8-9.5) 0.60 2.77 -38.21 0 5 -1 60 215.236 2 ↓

Parameters Provided:

ring.id = 55989
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 = 55989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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