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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-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(benzotriazol-1-yl)-N-[[(2S)-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) 1.17 4.29 -47.32 2 5 1 57 247.322 5 ↓
Hi High (pH 8-9.5) 1.17 2.87 -9.28 1 5 0 52 246.314 5 ↓

Analogs

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Popular Name: 2-(benzotriazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine 2-(benzotriazol-1-yl)-N-[[(2R)-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) 1.17 4.3 -48.65 2 5 1 57 247.322 5 ↓
Hi High (pH 8-9.5) 1.17 2.96 -9.19 1 5 0 52 246.314 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(benzotriazol-1-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]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) 1.84 5.02 -46.45 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.84 3.76 -8.74 1 5 0 52 260.341 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(benzotriazol-1-yl)ethyl]-1-[(2S)-tetrahydrofuran-2-yl]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) 1.84 4.73 -47.08 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.84 3.54 -8.74 1 5 0 52 260.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(benzotriazol-1-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]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) 1.84 4.76 -45.84 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.84 3.52 -8.81 1 5 0 52 260.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(benzotriazol-1-yl)ethyl]-1-[(2R)-tetrahydrofuran-2-yl]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) 1.84 4.99 -47.67 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.84 4.1 -8.75 1 5 0 52 260.341 5 ↓

Analogs

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Popular Name: (2S)-2-(benzotriazol-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2S)-2-(benzotriazol-1-yl)-N-[[(…

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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) 1.53 4.99 -46.37 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.53 3.71 -10.07 1 5 0 52 260.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(benzotriazol-1-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2R)-2-(benzotriazol-1-yl)-N-[[(…

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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) 1.53 4.98 -45.64 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.53 3.57 -9.29 1 5 0 52 260.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(benzotriazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2S)-2-(benzotriazol-1-yl)-N-[[(…

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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) 1.53 4.99 -45.62 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.53 3.8 -8.56 1 5 0 52 260.341 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(benzotriazol-1-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propan-1-amine (2R)-2-(benzotriazol-1-yl)-N-[[(…

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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) 1.53 5 -46.37 2 5 1 57 261.349 5 ↓
Hi High (pH 8-9.5) 1.53 3.67 -8.68 1 5 0 52 260.341 5 ↓

Parameters Provided:

ring.id = 73560
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 = 73560 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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