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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: 1-[3-(benzotriazol-1-ylmethyl)-2-furyl]-N-methyl-methanamine 1-[3-(benzotriazol-1-ylmethyl)-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) 1.70 5.01 -35.05 2 5 1 60 243.29 4 ↓

Analogs

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Popular Name: N-[[3-(benzotriazol-1-ylmethyl)-2-furyl]methyl]ethanamine N-[[3-(benzotriazol-1-ylmethyl)-…

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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) 2.07 5.88 -34.48 2 5 1 60 257.317 5 ↓

Analogs

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Popular Name: N-[[3-(benzotriazol-1-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[3-(benzotriazol-1-ylmethyl)-…

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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) 2.57 6.63 -34.83 2 5 1 60 271.344 6 ↓

Analogs

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Popular Name: N-[[3-(benzotriazol-1-ylmethyl)-2-furyl]methyl]propan-2-amine N-[[3-(benzotriazol-1-ylmethyl)-…

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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 6.4 -32.96 2 5 1 60 271.344 5 ↓

Analogs

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Popular Name: [3-(benzotriazol-1-ylmethyl)-2-furyl]methanamine [3-(benzotriazol-1-ylmethyl)-2-f…

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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) 1.32 2.98 -48.01 3 5 1 72 229.263 3 ↓

Analogs

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Popular Name: [4-(benzotriazol-1-ylmethyl)-5-methyl-2-furyl]methanamine [4-(benzotriazol-1-ylmethyl)-5-m…

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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) 1.54 3.84 -54.29 3 5 1 72 243.29 3 ↓

Analogs

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Popular Name: 1-[4-(benzotriazol-1-ylmethyl)-5-methyl-2-furyl]-N-methyl-methanamine 1-[4-(benzotriazol-1-ylmethyl)-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) 1.92 5.71 -48.7 2 5 1 60 257.317 4 ↓

Analogs

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Popular Name: N-[[4-(benzotriazol-1-ylmethyl)-5-methyl-2-furyl]methyl]ethanamine N-[[4-(benzotriazol-1-ylmethyl)-…

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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 6.53 -47.68 2 5 1 60 271.344 5 ↓

Analogs

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Popular Name: N-[[4-(benzotriazol-1-ylmethyl)-5-methyl-2-furyl]methyl]propan-1-amine N-[[4-(benzotriazol-1-ylmethyl)-…

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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 7.28 -48.57 2 5 1 60 285.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(benzotriazol-1-ylmethyl)-5-methyl-2-furyl]methyl]propan-2-amine N-[[4-(benzotriazol-1-ylmethyl)-…

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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) 2.59 7.08 -45.84 2 5 1 60 285.371 5 ↓

Analogs

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Popular Name: N-[[3-(benzotriazol-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-1-amine N-[[3-(benzotriazol-1-ylmethyl)-…

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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 7.32 -34.64 2 5 1 60 285.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(benzotriazol-1-ylmethyl)-2-furyl]methyl]-2-methyl-propan-2-amine N-[[3-(benzotriazol-1-ylmethyl)-…

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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) 2.88 6.8 -31.08 2 5 1 60 285.371 5 ↓

Analogs

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Popular Name: 3-(benzotriazol-1-ylmethyl)furan-2-carboxylic 3-(benzotriazol-1-ylmethyl)furan…

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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) 1.71 5.64 -62.81 0 6 -1 84 242.214 3 ↓

Parameters Provided:

ring.id = 260665
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 = 260665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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