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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-4-fluoro-aniline N-[2-(benzotriazol-1-yl)ethyl]-4…

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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 5.84 -11.12 1 4 0 43 256.284 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-2-bromo-aniline N-[2-(benzotriazol-1-yl)ethyl]-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) 3.60 6.49 -9.08 1 4 0 43 317.19 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-2-chloro-aniline N-[2-(benzotriazol-1-yl)ethyl]-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) 3.47 6.37 -9.11 1 4 0 43 272.739 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-3-methyl-aniline N-[2-(benzotriazol-1-yl)ethyl]-3…

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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) 3.26 6.44 -10.1 1 4 0 43 252.321 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-4-methyl-aniline N-[2-(benzotriazol-1-yl)ethyl]-4…

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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) 3.29 6.45 -10.05 1 4 0 43 252.321 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-4-chloro-aniline N-[2-(benzotriazol-1-yl)ethyl]-4…

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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) 3.52 6.29 -10.34 1 4 0 43 272.739 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-2-fluoro-aniline N-[2-(benzotriazol-1-yl)ethyl]-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) 2.95 5.86 -9.76 1 4 0 43 256.284 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-3-chloro-aniline N-[2-(benzotriazol-1-yl)ethyl]-3…

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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) 3.49 6.29 -9.82 1 4 0 43 272.739 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-3-fluoro-aniline N-[2-(benzotriazol-1-yl)ethyl]-3…

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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) 2.98 5.84 -10.37 1 4 0 43 256.284 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-3-bromo-aniline N-[2-(benzotriazol-1-yl)ethyl]-3…

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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) 3.62 6.4 -9.78 1 4 0 43 317.19 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-2-methyl-aniline N-[2-(benzotriazol-1-yl)ethyl]-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) 3.24 6.57 -10.1 1 4 0 43 252.321 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(benzotriazol-1-yl)propyl]aniline N-[(2S)-2-(benzotriazol-1-yl)pro…

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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) 3.20 6.53 -9.99 1 4 0 43 252.321 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(benzotriazol-1-yl)propyl]aniline N-[(2R)-2-(benzotriazol-1-yl)pro…

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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) 3.20 6.53 -9.98 1 4 0 43 252.321 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]-4-bromo-aniline N-[2-(benzotriazol-1-yl)ethyl]-4…

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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) 3.65 6.4 -10.32 1 4 0 43 317.19 4 ↓

Analogs

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Popular Name: N-[2-(benzotriazol-1-yl)ethyl]aniline N-[2-(benzotriazol-1-yl)ethyl]an…

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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) 2.84 5.77 -10.04 1 4 0 43 238.294 4 ↓

Parameters Provided:

ring.id = 73550
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 = 73550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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