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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: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1S)-1-(2,3-dihydro-1,4-benzodio…

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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) 1.16 4.93 -46.65 2 5 1 53 260.317 3 ↓
Hi High (pH 8-9.5) 1.16 3.76 -9.12 1 5 0 48 259.309 3 ↓

Analogs

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Popular Name: (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1R)-1-(2,3-dihydro-1,4-benzodio…

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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) 1.16 4.93 -46.88 2 5 1 53 260.317 3 ↓
Hi High (pH 8-9.5) 1.16 3.79 -9.13 1 5 0 48 259.309 3 ↓

Analogs

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Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-(1-ethylpyrazol-4-yl)methanol (R)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.12 3.64 -11.06 1 5 0 57 260.293 3 ↓

Analogs

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Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-(1-ethylpyrazol-4-yl)methanol (S)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.12 3.62 -11.01 1 5 0 57 260.293 3 ↓

Analogs

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Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpyrazol-4-yl)methanol (R)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.62 4.4 -10.77 1 5 0 57 274.32 4 ↓

Analogs

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Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpyrazol-4-yl)methanol (S)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.62 4.38 -10.66 1 5 0 57 274.32 4 ↓

Analogs

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Popular Name: (R)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-methylpyrazol-4-yl)methanol (R)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.55 3.31 -11.45 1 5 0 57 280.711 2 ↓

Analogs

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Popular Name: (S)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-methylpyrazol-4-yl)methanol (S)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.55 3.3 -11.41 1 5 0 57 280.711 2 ↓

Analogs

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Popular Name: (R)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-ethylpyrazol-4-yl)methanol (R)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.92 4.16 -11.22 1 5 0 57 294.738 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-ethylpyrazol-4-yl)methanol (S)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.92 4.16 -11.23 1 5 0 57 294.738 3 ↓

Analogs

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Popular Name: (R)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-propylpyrazol-4-yl)methanol (R)-(5-chloro-2,3-dihydro-1,4-be…

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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) 2.42 4.93 -10.95 1 5 0 57 308.765 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-propylpyrazol-4-yl)methanol (S)-(5-chloro-2,3-dihydro-1,4-be…

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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) 2.42 4.92 -10.9 1 5 0 57 308.765 4 ↓

Analogs

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Popular Name: (R)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-methylpyrazol-4-yl)methanol (R)-(5-bromo-2,3-dihydro-1,4-ben…

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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) 1.68 3.43 -11.34 1 5 0 57 325.162 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-methylpyrazol-4-yl)methanol (S)-(5-bromo-2,3-dihydro-1,4-ben…

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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) 1.68 3.42 -11.3 1 5 0 57 325.162 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-ethylpyrazol-4-yl)methanol (R)-(5-bromo-2,3-dihydro-1,4-ben…

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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) 2.05 4.29 -11.12 1 5 0 57 339.189 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-ethylpyrazol-4-yl)methanol (S)-(5-bromo-2,3-dihydro-1,4-ben…

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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) 2.05 4.28 -11.06 1 5 0 57 339.189 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-propylpyrazol-4-yl)methanol (R)-(5-bromo-2,3-dihydro-1,4-ben…

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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) 2.56 5.05 -10.84 1 5 0 57 353.216 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(1-propylpyrazol-4-yl)methanol (S)-(5-bromo-2,3-dihydro-1,4-ben…

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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) 2.56 5.04 -10.74 1 5 0 57 353.216 4 ↓

Parameters Provided:

ring.id = 18043
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 = 18043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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