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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: 2-(benzotriazol-1-yl)-N-(2-thienylmethyl)ethanamine 2-(benzotriazol-1-yl)-N-(2-thien…

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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) 2.44 6.05 -51.89 2 4 1 47 259.358 5 ↓
Hi High (pH 8-9.5) 2.44 4.7 -9.01 1 4 0 43 258.35 5 ↓

Analogs

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Popular Name: (2S)-2-(benzotriazol-1-yl)-N-(2-thienylmethyl)propan-1-amine (2S)-2-(benzotriazol-1-yl)-N-(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) 2.80 6.76 -49.08 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 2.80 5.54 -8.87 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: (2R)-2-(benzotriazol-1-yl)-N-(2-thienylmethyl)propan-1-amine (2R)-2-(benzotriazol-1-yl)-N-(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) 2.80 6.76 -49.4 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 2.80 5.41 -8.65 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-(benzotriazol-1-yl)-N-[(3-meth…

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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 6.63 -51.07 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 2.82 5.27 -8.96 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-[(5-chloro-2-thienyl)methyl]ethanamine 2-(benzotriazol-1-yl)-N-[(5-chlo…

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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) 3.24 6.68 -56.41 2 4 1 47 293.803 5 ↓
Hi High (pH 8-9.5) 3.24 5.33 -8.99 1 4 0 43 292.795 5 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-(benzotriazol-1-yl)-N-[(5-meth…

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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 6.89 -51.07 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 2.66 5.54 -9.17 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-[(4-bromo-2-thienyl)methyl]ethanamine 2-(benzotriazol-1-yl)-N-[(4-brom…

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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) 3.18 6.66 -54.65 2 4 1 47 338.254 5 ↓
Hi High (pH 8-9.5) 3.18 5.31 -8.84 1 4 0 43 337.246 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(benzotriazol-1-yl)ethyl]-1-(2-thienyl)ethanamine (1S)-N-[2-(benzotriazol-1-yl)eth…

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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) 3.00 6.57 -48.11 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 3.00 5.36 -8.73 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(benzotriazol-1-yl)ethyl]-1-(2-thienyl)ethanamine (1R)-N-[2-(benzotriazol-1-yl)eth…

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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) 3.00 6.57 -48.32 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 3.00 5.39 -8.69 1 4 0 43 272.377 5 ↓

Parameters Provided:

ring.id = 73551
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 = 73551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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