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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

36145585
36145585

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Popular Name: (2S)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propa (2S)-1-[4-[5-(1,3-benzodioxol-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) 3.70 4.11 -15.86 2 10 0 109 498.58 14 ↓

Analogs

36145584
36145584

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Popular Name: (2R)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propa (2R)-1-[4-[5-(1,3-benzodioxol-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) 3.70 4.05 -15.96 2 10 0 109 498.58 14 ↓

Analogs

36145587
36145587
36145641
36145641
36145642
36145642
35742846
35742846
35742847
35742847

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Popular Name: (2S)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]anilino]-3-tert-butoxy-pro (2S)-1-[4-[5-(1,3-benzodioxol-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) 3.77 3.75 -15.9 2 10 0 109 498.58 13 ↓

Analogs

36145641
36145641
36145642
36145642
35742846
35742846
35742847
35742847
36145586
36145586

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Popular Name: (2R)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]anilino]-3-tert-butoxy-pro (2R)-1-[4-[5-(1,3-benzodioxol-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) 3.77 3.69 -15.99 2 10 0 109 498.58 13 ↓

Analogs

36145675
36145675
35742874
35742874
35742875
35742875

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Popular Name: (2S)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]-3-tert-butoxy-propan-2-ol (2S)-1-[4-[5-(1,3-benzodioxol-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) 3.88 3.53 -14.01 2 9 0 100 454.527 10 ↓

Analogs

35742874
35742874
35742875
35742875
36145674
36145674

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Popular Name: (2R)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]-3-tert-butoxy-propan-2-ol (2R)-1-[4-[5-(1,3-benzodioxol-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) 3.88 3.46 -14.07 2 9 0 100 454.527 10 ↓

Analogs

36145771
36145771

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Popular Name: (2R)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-[4-[5-(1,3-benzodioxol-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) 3.08 2.12 -12.38 2 8 0 91 382.42 7 ↓

Analogs

36145770
36145770

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Popular Name: (2S)-1-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-[4-[5-(1,3-benzodioxol-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) 3.08 2.06 -12.86 2 8 0 91 382.42 7 ↓

Analogs

36145773
36145773
35742982
35742982
35742983
35742983

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Popular Name: (2S)-1-allyloxy-3-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-allyloxy-3-[4-[5-(1,3-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) 3.33 2.95 -14.58 2 9 0 100 438.484 11 ↓

Analogs

35742982
35742982
35742983
35742983
36145772
36145772

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Popular Name: (2R)-1-allyloxy-3-[4-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-allyloxy-3-[4-[5-(1,3-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) 3.33 2.89 -14.71 2 9 0 100 438.484 11 ↓

Parameters Provided:

ring.id = 69554
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 = 69554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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