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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: (1R)-1-(2,5-dimethyl-3-furyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (1R)-1-(2,5-dimethyl-3-furyl)-N-…

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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) 1.07 5.96 -37.71 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 1.07 4.81 -8.55 2 4 0 54 219.288 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (1S)-1-(2,5-dimethyl-3-furyl)-N-…

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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) 1.07 5.99 -37.79 3 4 1 58 220.296 4 ↓
Hi High (pH 8-9.5) 1.07 4.76 -8.86 2 4 0 54 219.288 4 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-furyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]ethanamine (1R)-1-(2,5-dimethyl-3-furyl)-N-…

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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) 1.29 6.46 -37.25 3 4 1 58 234.323 4 ↓
Hi High (pH 8-9.5) 1.29 5.31 -10.14 2 4 0 54 233.315 4 ↓
Lo Low (pH 4.5-6) 1.29 6.98 -104.77 4 4 2 60 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-N-[(4-methyl-1H-imidazol-5-yl)methyl]ethanamine (1S)-1-(2,5-dimethyl-3-furyl)-N-…

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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) 1.29 6.48 -37.35 3 4 1 58 234.323 4 ↓
Hi High (pH 8-9.5) 1.29 5.26 -9.34 2 4 0 54 233.315 4 ↓
Lo Low (pH 4.5-6) 1.29 7.01 -105.19 4 4 2 60 235.331 4 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-furyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1R)-1-(2,5-dimethyl-3-furyl)-N-…

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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 5.81 -37.69 3 4 1 58 234.323 4 ↓
Lo Low (pH 4.5-6) 1.16 6.25 -104.14 4 4 2 60 235.331 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,5-dimethyl-3-furyl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethanamine (1S)-1-(2,5-dimethyl-3-furyl)-N-…

Find On: PubMed — Wikipedia — Google

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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 5.84 -37.77 3 4 1 58 234.323 4 ↓
Lo Low (pH 4.5-6) 1.16 6.28 -104.45 4 4 2 60 235.331 4 ↓

Parameters Provided:

ring.id = 152855
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 = 152855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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