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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(chloromethyl)-1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(2R)-2,3-di…

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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) 1.66 5.53 -16.76 0 5 0 53 250.689 3 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazole 5-(chloromethyl)-1-[[(2S)-2,3-di…

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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) 1.66 5.75 -12.48 0 5 0 53 250.689 3 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[[(2S)-2,3-dihydrobenzofur…

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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) 1.77 6.52 -62.63 2 6 1 69 288.375 6 ↓
Hi High (pH 8-9.5) 1.77 5.32 -13.84 1 6 0 65 287.367 6 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[[(2R)-2,3-dihydrobenzofur…

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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) 1.77 6.62 -49.47 2 6 1 69 288.375 6 ↓
Hi High (pH 8-9.5) 1.77 5.41 -9.46 1 6 0 65 287.367 6 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[[(2S)-2,3-dihydrobenzofur…

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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) 0.63 4.21 -63.93 2 7 1 79 290.347 7 ↓
Mid Mid (pH 6-8) 0.63 2.88 -16.2 1 7 0 74 289.339 7 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[[(2R)-2,3-dihydrobenzofur…

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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) 0.63 4.3 -50.08 2 7 1 79 290.347 7 ↓
Mid Mid (pH 6-8) 0.63 2.97 -11.33 1 7 0 74 289.339 7 ↓

Analogs

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Popular Name: [1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methanamine [1-[[(2R)-2,3-dihydrobenzofuran-…

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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) 0.27 2.4 -67.75 3 6 1 80 232.267 3 ↓
Hi High (pH 8-9.5) 0.27 1.96 -15.56 2 6 0 79 231.259 3 ↓

Analogs

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Popular Name: [1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methanamine [1-[[(2S)-2,3-dihydrobenzofuran-…

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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) 0.27 2.34 -69.4 3 6 1 80 232.267 3 ↓
Hi High (pH 8-9.5) 0.27 2.48 -11.09 2 6 0 79 231.259 3 ↓

Analogs

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Popular Name: 1-[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[[(2S)-2,3-dihydrobenzofura…

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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) 0.64 4.22 -62.81 2 6 1 69 246.294 4 ↓
Hi High (pH 8-9.5) 0.64 2.79 -14.23 1 6 0 65 245.286 4 ↓

Analogs

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Popular Name: 1-[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[[(2R)-2,3-dihydrobenzofura…

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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) 0.64 4.31 -50.45 2 6 1 69 246.294 4 ↓
Hi High (pH 8-9.5) 0.64 2.88 -9.96 1 6 0 65 245.286 4 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(2S)-2,3-dihydrobenzofur…

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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) 1.02 5.08 -61.95 2 6 1 69 260.321 5 ↓
Hi High (pH 8-9.5) 1.02 3.72 -14.02 1 6 0 65 259.313 5 ↓

Analogs

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Popular Name: N-[[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[[(2R)-2,3-dihydrobenzofur…

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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) 1.02 5.17 -49.05 2 6 1 69 260.321 5 ↓
Hi High (pH 8-9.5) 1.02 3.81 -9.71 1 6 0 65 259.313 5 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(2S)-2,3-dihydrobenzofur…

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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) 1.52 5.83 -62.86 2 6 1 69 274.348 6 ↓
Hi High (pH 8-9.5) 1.52 4.49 -13.91 1 6 0 65 273.34 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[[(2R)-2,3-dihydrobenzofur…

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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) 1.52 5.92 -49.92 2 6 1 69 274.348 6 ↓
Hi High (pH 8-9.5) 1.52 4.58 -9.55 1 6 0 65 273.34 6 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[[(2S)-2,3-dihydrobenzofur…

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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 5.61 -58.83 2 6 1 69 274.348 5 ↓
Hi High (pH 8-9.5) 1.32 4.42 -13.95 1 6 0 65 273.34 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[[(2R)-2,3-dihydrobenzofur…

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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 5.69 -46.61 2 6 1 69 274.348 5 ↓
Hi High (pH 8-9.5) 1.32 4.51 -9.6 1 6 0 65 273.34 5 ↓

Analogs

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Popular Name: N-[[1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[[(2S)-2,3-dihydrobenzofur…

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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) 1.83 6.04 -56.8 2 6 1 69 288.375 5 ↓
Hi High (pH 8-9.5) 1.83 4.81 -13.53 1 6 0 65 287.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[[(2R)-2,3-dihydrobenzofur…

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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) 1.83 6.12 -44.69 2 6 1 69 288.375 5 ↓
Hi High (pH 8-9.5) 1.83 4.89 -9.43 1 6 0 65 287.367 5 ↓

Parameters Provided:

ring.id = 151601
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 = 151601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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