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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 5-(chloromethyl)-1-[(4R)-chroman-4-yl]tetrazole 5-(chloromethyl)-1-[(4R)-chroman…

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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) 1.72 5.65 -11 0 5 0 53 250.689 2 ↓

Analogs

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Popular Name: 5-(chloromethyl)-1-[(4S)-chroman-4-yl]tetrazole 5-(chloromethyl)-1-[(4S)-chroman…

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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) 1.72 5.64 -11.96 0 5 0 53 250.689 2 ↓

Analogs

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Popular Name: N-[[1-[(4R)-chroman-4-yl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(4R)-chroman-4-yl]tetrazo…

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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 6.59 -58.19 2 6 1 69 288.375 5 ↓
Hi High (pH 8-9.5) 1.83 5.38 -9.39 1 6 0 65 287.367 5 ↓

Analogs

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Popular Name: N-[[1-[(4S)-chroman-4-yl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(4S)-chroman-4-yl]tetrazo…

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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 6.61 -56.54 2 6 1 69 288.375 5 ↓
Hi High (pH 8-9.5) 1.83 5.39 -9.91 1 6 0 65 287.367 5 ↓

Analogs

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Popular Name: N-[[1-[(4R)-chroman-4-yl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(4R)-chroman-4-yl]tetrazo…

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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) 0.69 4.28 -58.52 2 7 1 79 290.347 6 ↓
Mid Mid (pH 6-8) 0.69 2.94 -11.34 1 7 0 74 289.339 6 ↓

Analogs

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Popular Name: N-[[1-[(4S)-chroman-4-yl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(4S)-chroman-4-yl]tetrazo…

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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) 0.69 4.3 -56.77 2 7 1 79 290.347 6 ↓
Mid Mid (pH 6-8) 0.69 2.95 -12.05 1 7 0 74 289.339 6 ↓

Analogs

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Popular Name: [1-[(4R)-chroman-4-yl]tetrazol-5-yl]methanamine [1-[(4R)-chroman-4-yl]tetrazol-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) 0.33 2.41 -64.73 3 6 1 80 232.267 2 ↓
Hi High (pH 8-9.5) 0.33 2.03 -10.58 2 6 0 79 231.259 2 ↓

Analogs

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Popular Name: [1-[(4S)-chroman-4-yl]tetrazol-5-yl]methanamine [1-[(4S)-chroman-4-yl]tetrazol-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) 0.33 2.42 -63.19 3 6 1 80 232.267 2 ↓
Hi High (pH 8-9.5) 0.33 2.03 -11.23 2 6 0 79 231.259 2 ↓

Analogs

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Popular Name: 1-[1-[(4R)-chroman-4-yl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(4R)-chroman-4-yl]tetrazol…

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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) 0.70 4.29 -57.95 2 6 1 69 246.294 3 ↓
Hi High (pH 8-9.5) 0.70 2.86 -9.82 1 6 0 65 245.286 3 ↓

Analogs

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Popular Name: 1-[1-[(4S)-chroman-4-yl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(4S)-chroman-4-yl]tetrazol…

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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) 0.70 4.29 -56.41 2 6 1 69 246.294 3 ↓
Hi High (pH 8-9.5) 0.70 2.86 -10.39 1 6 0 65 245.286 3 ↓

Analogs

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Popular Name: N-[[1-[(4R)-chroman-4-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(4R)-chroman-4-yl]tetrazo…

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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) 1.08 5.15 -56.89 2 6 1 69 260.321 4 ↓
Hi High (pH 8-9.5) 1.08 3.79 -9.62 1 6 0 65 259.313 4 ↓

Analogs

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Popular Name: N-[[1-[(4S)-chroman-4-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(4S)-chroman-4-yl]tetrazo…

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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) 1.08 5.16 -55.48 2 6 1 69 260.321 4 ↓
Hi High (pH 8-9.5) 1.08 3.79 -10.19 1 6 0 65 259.313 4 ↓

Analogs

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Popular Name: N-[[1-[(4R)-chroman-4-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(4R)-chroman-4-yl]tetrazo…

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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) 1.58 5.9 -57.94 2 6 1 69 274.348 5 ↓
Hi High (pH 8-9.5) 1.58 4.55 -9.5 1 6 0 65 273.34 5 ↓

Analogs

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Popular Name: N-[[1-[(4S)-chroman-4-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(4S)-chroman-4-yl]tetrazo…

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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) 1.58 5.92 -56.39 2 6 1 69 274.348 5 ↓
Hi High (pH 8-9.5) 1.58 4.56 -10.07 1 6 0 65 273.34 5 ↓

Analogs

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Popular Name: N-[[1-[(4R)-chroman-4-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(4R)-chroman-4-yl]tetrazo…

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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) 1.38 5.68 -55.09 2 6 1 69 274.348 4 ↓
Hi High (pH 8-9.5) 1.38 4.49 -9.47 1 6 0 65 273.34 4 ↓

Analogs

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Popular Name: N-[[1-[(4S)-chroman-4-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(4S)-chroman-4-yl]tetrazo…

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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) 1.38 5.69 -53.36 2 6 1 69 274.348 4 ↓
Hi High (pH 8-9.5) 1.38 4.49 -10.07 1 6 0 65 273.34 4 ↓

Analogs

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Popular Name: N-[[1-[(4R)-chroman-4-yl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(4R)-chroman-4-yl]tetrazo…

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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) 1.89 6.11 -51.72 2 6 1 69 288.375 4 ↓
Hi High (pH 8-9.5) 1.89 4.88 -9.1 1 6 0 65 287.367 4 ↓

Analogs

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Popular Name: N-[[1-[(4S)-chroman-4-yl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(4S)-chroman-4-yl]tetrazo…

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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) 1.89 6.11 -49.93 2 6 1 69 288.375 4 ↓
Hi High (pH 8-9.5) 1.89 4.88 -9.61 1 6 0 65 287.367 4 ↓

Parameters Provided:

ring.id = 151605
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 = 151605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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