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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: N-[[4-(benzotriazol-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-(benzotriazol-1-ylmethyl)t…

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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) 2.53 6.15 -44.4 2 5 1 60 302.427 6 ↓
Hi High (pH 8-9.5) 2.53 4.95 -15.29 1 5 0 56 301.419 6 ↓

Analogs

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Popular Name: N-[[4-(benzotriazol-1-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-2-amine N-[[4-(benzotriazol-1-ylmethyl)t…

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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) 2.60 5.67 -40.25 2 5 1 60 302.427 5 ↓
Hi High (pH 8-9.5) 2.60 4.43 -15.38 1 5 0 56 301.419 5 ↓

Analogs

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Popular Name: [4-(benzotriazol-1-ylmethyl)thiazol-2-yl]methanamine [4-(benzotriazol-1-ylmethyl)thia…

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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 1.99 -49.63 3 5 1 71 246.319 3 ↓
Mid Mid (pH 6-8) 1.04 1.59 -10.96 2 5 0 70 245.311 3 ↓

Analogs

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Popular Name: 1-[4-(benzotriazol-1-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(benzotriazol-1-ylmethyl)th…

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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) 1.41 3.87 -43.83 2 5 1 60 260.346 4 ↓
Hi High (pH 8-9.5) 1.41 2.42 -15.84 1 5 0 56 259.338 4 ↓

Analogs

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Popular Name: N-[[4-(benzotriazol-1-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(benzotriazol-1-ylmethyl)t…

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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 4.71 -43.93 2 5 1 60 274.373 5 ↓
Hi High (pH 8-9.5) 1.79 3.35 -15.72 1 5 0 56 273.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(benzotriazol-1-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(benzotriazol-1-ylmethyl)t…

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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) 2.08 5.23 -42.5 2 5 1 60 288.4 5 ↓
Hi High (pH 8-9.5) 2.08 4.03 -15.69 1 5 0 56 287.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(benzotriazol-1-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(benzotriazol-1-ylmethyl)t…

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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) 2.29 5.46 -44.62 2 5 1 60 288.4 6 ↓
Hi High (pH 8-9.5) 2.29 4.12 -15.54 1 5 0 56 287.392 6 ↓

Analogs

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Popular Name: 1-[(2-methylthiazol-4-yl)methyl]benzotriazole-5-carboxylic 1-[(2-methylthiazol-4-yl)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) 1.72 5.16 -53.47 0 6 -1 84 273.297 3 ↓

Parameters Provided:

ring.id = 260646
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 = 260646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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