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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: (R)-4-isoquinolyl-(5-methyl-2-furyl)methanol (R)-4-isoquinolyl-(5-methyl-2-fu…

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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) 2.43 5.1 -8.66 1 3 0 46 239.274 2 ↓
Lo Low (pH 4.5-6) 2.43 5.57 -35.27 2 3 1 48 240.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-4-isoquinolyl-(5-methyl-2-furyl)methanol (S)-4-isoquinolyl-(5-methyl-2-fu…

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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) 2.43 5.22 -8.66 1 3 0 46 239.274 2 ↓
Lo Low (pH 4.5-6) 2.43 5.69 -35.34 2 3 1 48 240.282 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-furyl)-(4-isoquinolyl)methanol (S)-(5-bromo-2-furyl)-(4-isoquin…

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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) 3.14 5.13 -8.13 1 3 0 46 304.143 2 ↓
Lo Low (pH 4.5-6) 3.14 5.6 -35.65 2 3 1 48 305.151 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-furyl)-(4-isoquinolyl)methanol (R)-(5-bromo-2-furyl)-(4-isoquin…

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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) 3.14 5.02 -8.21 1 3 0 46 304.143 2 ↓
Lo Low (pH 4.5-6) 3.14 5.48 -35.53 2 3 1 48 305.151 2 ↓

Analogs

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Popular Name: (S)-2-furyl(4-isoquinolyl)methanol (S)-2-furyl(4-isoquinolyl)methanol

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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) 2.21 4.39 -8.45 1 3 0 46 225.247 2 ↓
Lo Low (pH 4.5-6) 2.21 4.86 -35.35 2 3 1 48 226.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl(4-isoquinolyl)methanol (R)-2-furyl(4-isoquinolyl)methanol

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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) 2.21 4.28 -8.45 1 3 0 46 225.247 2 ↓
Lo Low (pH 4.5-6) 2.21 4.75 -35.37 2 3 1 48 226.255 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-(4-isoquinolyl)methanol (S)-(4,5-dibromo-2-furyl)-(4-iso…

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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 5.72 -7.38 1 3 0 46 383.039 2 ↓
Lo Low (pH 4.5-6) 3.88 6.19 -36.74 2 3 1 48 384.047 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dibromo-2-furyl)-(4-isoquinolyl)methanol (R)-(4,5-dibromo-2-furyl)-(4-iso…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.62 -7.45 1 3 0 46 383.039 2 ↓
Lo Low (pH 4.5-6) 3.88 6.09 -36.7 2 3 1 48 384.047 2 ↓

Parameters Provided:

ring.id = 333048
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 = 333048 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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