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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: (3R)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3R)-6-[(4,5-dimethyl-1,2,4-tria…

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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) -1.36 3.82 -59.42 3 6 1 77 261.305 3 ↓
Hi High (pH 8-9.5) -1.36 3.52 -16.8 2 6 0 75 260.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydrobenzofuran-3-amine (3S)-6-[(4,5-dimethyl-1,2,4-tria…

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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) -1.36 3.83 -63.67 3 6 1 77 261.305 3 ↓
Hi High (pH 8-9.5) -1.36 3.52 -15.26 2 6 0 75 260.297 3 ↓

Analogs

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Popular Name: (3R)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-methyl-2,3-dihydrobenzofuran-3-amine (3R)-6-[(4,5-dimethyl-1,2,4-tria…

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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) 0.89 5.57 -53.49 2 6 1 66 275.332 4 ↓
Hi High (pH 8-9.5) 0.89 4.32 -15.86 1 6 0 61 274.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-methyl-2,3-dihydrobenzofuran-3-amine (3S)-6-[(4,5-dimethyl-1,2,4-tria…

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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) 0.89 5.57 -54.49 2 6 1 66 275.332 4 ↓
Hi High (pH 8-9.5) 0.89 4.32 -14.89 1 6 0 61 274.324 4 ↓

Analogs

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Popular Name: (3S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-ethyl-2,3-dihydrobenzofuran-3-amine (3S)-6-[(4,5-dimethyl-1,2,4-tria…

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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) 1.27 6.39 -52.43 2 6 1 66 289.359 5 ↓
Hi High (pH 8-9.5) 1.27 5.22 -15.71 1 6 0 61 288.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-N-ethyl-2,3-dihydrobenzofuran-3-amine (3R)-6-[(4,5-dimethyl-1,2,4-tria…

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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) 1.27 6.39 -53.23 2 6 1 66 289.359 5 ↓
Hi High (pH 8-9.5) 1.27 5.24 -14.65 1 6 0 61 288.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydrobenzofuran-3-ol (3R)-6-[(4,5-dimethyl-1,2,4-tria…

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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) 0.34 3.18 -18.5 1 6 0 69 261.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydrobenzofuran-3-ol (3S)-6-[(4,5-dimethyl-1,2,4-tria…

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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) 0.34 3.18 -16.78 1 6 0 69 261.281 3 ↓

Parameters Provided:

ring.id = 275128
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 = 275128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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